4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butanamide

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butanamide Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butanamide CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butanamide IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butanamide Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-[6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl]butyramide Formula: C38H54Cl2N2O3 MolecularWeight: 657.75296

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCNC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCNC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C38H54Cl2N2O3/c1-38-19-18-33-32-15-14-31(43)26-29(32)25-28(37(33)34(38)16-17-35(38)44)8-4-2-3-5-22-41-36(45)9-6-7-27-10-12-30(13-11-27)42(23-20-39)24-21-40/h10-15,26,28,33-35,37,43-44H,2-9,16-25H2,1H3,(H,41,45)/t28-,33?,34?,35+,37?,38+/m1/s1