[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-phenoxyethyl)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-(2-phenoxyethyl)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-phenoxyethyl)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-phenoxyethyl)-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-(2-phenoxyethyl)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-phenoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Formula: C41H43Cl2N9O3 MolecularWeight: 780.74462

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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=C6N5CCOC7=CC=CC=C7)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=C6N5CCOC7=CC=CC=C7)C8=CC(=C(C=C8)Cl)Cl

InChI

InChI=1S/C41H43Cl2N9O3/c1-54-38-15-13-31(52-29-44-46-47-52)27-33(38)39(53)50-21-17-41(28-50,30-12-14-34(42)35(43)26-30)16-20-48-18-7-19-49(23-22-48)40-45-36-10-5-6-11-37(36)51(40)24-25-55-32-8-3-2-4-9-32/h2-6,8-15,26-27,29H,7,16-25,28H2,1H3