[3-[2-[4-(1-ethenylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: [3-[2-[4-(1-ethenylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: [2-methoxy-5-(tetrazol-1-yl)phenyl]-[3-phenyl-3-[2-[4-(1-vinylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone CAS Name: [3-[2-[4-(1-ethenyl-2-benzimidazolyl)-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-[2-methoxy-5-(1-tetrazolyl)phenyl]methanone IUPAC Name: [3-[2-[4-(1-ethenylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Traditional Name: [2-methoxy-5-(tetrazol-1-yl)phenyl]-[3-phenyl-3-[2-[4-(1-vinylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidino]methanone Formula: C35H39N9O2 MolecularWeight: 617.74326

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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=C6N5C=C)C7=CC=CC=C7

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=N2)C(=O)N3CCC(C3)(CCN4CCCN(CC4)C5=NC6=CC=CC=C6N5C=C)C7=CC=CC=C7

InChI

InChI=1S/C35H39N9O2/c1-3-43-31-13-8-7-12-30(31)37-34(43)41-19-9-18-40(22-23-41)20-16-35(27-10-5-4-6-11-27)17-21-42(25-35)33(45)29-24-28(14-15-32(29)46-2)44-26-36-38-39-44/h3-8,10-15,24,26H,1,9,16-23,25H2,2H3