phenyl-[3-phenyl-3-[1-[2-(4-prop-2-enyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone

Systemtic Name: phenyl-[3-phenyl-3-[1-[2-(4-prop-2-enyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone Openeye Name: [3-[1-[2-(4-allyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-phenyl-methanone CAS Name: phenyl-[3-phenyl-3-[1-[2-(4-prop-2-enyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]methanone IUPAC Name: phenyl-[3-phenyl-3-[1-[2-(4-prop-2-enyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone Traditional Name: [3-[1-[2-(4-allyl-1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-phenyl-methanone Formula: C34H39N5O MolecularWeight: 533.70636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCN(C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCCNCC4C5=NC6=C(C=CC=C6N5)CC=C

Isomeric SMILES

CC(C1(CCN(C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCCNCC4C5=NC6=C(C=CC=C6N5)CC=C

InChI

InChI=1S/C34H39N5O/c1-3-12-26-15-10-18-29-31(26)37-32(36-29)30-23-35-20-11-21-39(30)25(2)34(28-16-8-5-9-17-28)19-22-38(24-34)33(40)27-13-6-4-7-14-27/h3-10,13-18,25,30,35H,1,11-12,19-24H2,2H3,(H,36,37)