(1R,5S)-7-[3-[3-(2-chloranyl-5-methyl-phenoxy)propyl]phenyl]-3-ethanoyl-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1R,5S)-7-[3-[3-(2-chloranyl-5-methyl-phenoxy)propyl]phenyl]-3-ethanoyl-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5S)-3-acetyl-7-[3-[3-(2-chloro-5-methyl-phenoxy)propyl]phenyl]-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5S)-3-acetyl-7-[3-[3-(2-chloro-5-methylphenoxy)propyl]phenyl]-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5S)-3-acetyl-7-[3-[3-(2-chloro-5-methylphenoxy)propyl]phenyl]-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5S)-3-acetyl-7-[3-[3-(2-chloro-5-methyl-phenoxy)propyl]phenyl]-N-methyl-N-phenethyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C35H40ClN3O3 MolecularWeight: 586.1634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCCCC2=CC=CC(=C2)C3=C(C4CN(CC(C3)N4)C(=O)C)C(=O)N(C)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCCCC2=CC=CC(=C2)C3=C([C@H]4CN(C[C@@H](C3)N4)C(=O)C)C(=O)N(C)CCC5=CC=CC=C5

InChI

InChI=1S/C35H40ClN3O3/c1-24-14-15-31(36)33(19-24)42-18-8-12-27-11-7-13-28(20-27)30-21-29-22-39(25(2)40)23-32(37-29)34(30)35(41)38(3)17-16-26-9-5-4-6-10-26/h4-7,9-11,13-15,19-20,29,32,37H,8,12,16-18,21-23H2,1-3H3/t29-,32-/m1/s1