[3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-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 hydrochloride

Systemtic Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-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 hydrochloride Openeye Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone hydrochloride CAS Name: [3-[2-[4-[1-[(E)-but-2-enyl]-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-[2-methoxy-5-(1-tetrazolyl)phenyl]methanone hydrochloride IUPAC Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone hydrochloride Traditional Name: [3-[2-[4-[1-[(E)-but-2-enyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone hydrochloride Formula: C37H44ClN9O2 MolecularWeight: 682.25736

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=C(C=CC(=C5)N6C=NN=N6)OC)C7=CC=CC=C7.Cl

Isomeric SMILES

C/C=C/CN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=C(C=CC(=C5)N6C=NN=N6)OC)C7=CC=CC=C7.Cl

InChI

InChI=1S/C37H43N9O2.ClH/c1-3-4-21-45-33-14-9-8-13-32(33)39-36(45)43-20-10-19-42(24-25-43)22-17-37(29-11-6-5-7-12-29)18-23-44(27-37)35(47)31-26-30(15-16-34(31)48-2)46-28-38-40-41-46;/h3-9,11-16,26,28H,10,17-25,27H2,1-2H3;1H/b4-3+;