2-[(E)-[(10R,13S)-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethyl-piperidin-4-yl]ethyl]ethanamide

Systemtic Name: 2-[(E)-[(10R,13S)-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethyl-piperidin-4-yl]ethyl]ethanamide Openeye Name: 2-[(E)-[(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethyl-4-piperidyl]ethyl]acetamide CAS Name: 2-[(E)-[(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethyl-4-piperidinyl]ethyl]acetamide IUPAC Name: 2-[(E)-[(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl]acetamide Traditional Name: 2-[(E)-[(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethyl-4-piperidyl]ethyl]acetamide Formula: C38H57N3O4 MolecularWeight: 619.87688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)C)(CCNC(=O)CON=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC5O)C)C)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1CC(C(CN1C)C)(CCNC(=O)CO/N=C/2\CC[C@@]3(C4CC[C@]5(C(C4CCC3=C2)CCC5O)C)C)C6=CC=C(C=C6)OC

InChI

InChI=1S/C38H57N3O4/c1-25-23-41(5)26(2)22-38(25,27-7-10-30(44-6)11-8-27)19-20-39-35(43)24-45-40-29-15-17-36(3)28(21-29)9-12-31-32-13-14-34(42)37(32,4)18-16-33(31)36/h7-8,10-11,21,25-26,31-34,42H,9,12-20,22-24H2,1-6H3,(H,39,43)/b40-29+/t25?,26?,31?,32?,33?,34?,36-,37-,38?/m0/s1