[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone CAS Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridinylmethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-[2-methoxy-5-(1-tetrazolyl)phenyl]methanone IUPAC Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Traditional Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Formula: C39H40Cl2N10O2 MolecularWeight: 751.7067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NN=N2)C(=O)N3CCC(C3)(CCN4CCCN(CC4)C5=NC6=CC=CC=C6N5CC7=CC=CC=N7)C8=CC(=C(C=C8)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=N2)C(=O)N3CCC(C3)(CCN4CCCN(CC4)C5=NC6=CC=CC=C6N5CC7=CC=CC=N7)C8=CC(=C(C=C8)Cl)Cl

InChI

InChI=1S/C39H40Cl2N10O2/c1-53-36-13-11-30(51-27-43-45-46-51)24-31(36)37(52)49-20-15-39(26-49,28-10-12-32(40)33(41)23-28)14-19-47-17-6-18-48(22-21-47)38-44-34-8-2-3-9-35(34)50(38)25-29-7-4-5-16-42-29/h2-5,7-13,16,23-24,27H,6,14-15,17-22,25-26H2,1H3