[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone hydrochloride

Systemtic Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone hydrochloride Openeye Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methylsulfanyl-5-(tetrazol-1-yl)phenyl]methanone hydrochloride CAS Name: [3-[2-[4-[1-(2-ethoxyethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-[2-(methylthio)-5-(1-tetrazolyl)phenyl]methanone hydrochloride IUPAC Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methylsulfanyl-5-(tetrazol-1-yl)phenyl]methanone hydrochloride Traditional Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-[2-(methylthio)-5-(tetrazol-1-yl)phenyl]methanone hydrochloride Formula: C37H46ClN9O2S MolecularWeight: 716.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=C(C=CC(=C5)N6C=NN=N6)SC)C7=CC=CC=C7.Cl

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=C(C=CC(=C5)N6C=NN=N6)SC)C7=CC=CC=C7.Cl

InChI

InChI=1S/C37H45N9O2S.ClH/c1-3-48-25-24-45-33-13-8-7-12-32(33)39-36(45)43-19-9-18-42(22-23-43)20-16-37(29-10-5-4-6-11-29)17-21-44(27-37)35(47)31-26-30(14-15-34(31)49-2)46-28-38-40-41-46;/h4-8,10-15,26,28H,3,9,16-25,27H2,1-2H3;1H