[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(2-methoxy-5-oxidanyl-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-methoxy-5-oxidanyl-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]-(5-hydroxy-2-methoxy-phenyl)methanone hydrochloride CAS Name: [3-[2-[4-[1-(2-ethoxyethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-(5-hydroxy-2-methoxyphenyl)methanone hydrochloride IUPAC Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(5-hydroxy-2-methoxyphenyl)methanone hydrochloride Traditional Name: [3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-(5-hydroxy-2-methoxy-phenyl)methanone hydrochloride Formula: C36H46ClN5O4 MolecularWeight: 648.23454

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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)O)OC)C6=CC=CC=C6.Cl

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=C(C=CC(=C5)O)OC)C6=CC=CC=C6.Cl

InChI

InChI=1S/C36H45N5O4.ClH/c1-3-45-25-24-41-32-13-8-7-12-31(32)37-35(41)39-19-9-18-38(22-23-39)20-16-36(28-10-5-4-6-11-28)17-21-40(27-36)34(43)30-26-29(42)14-15-33(30)44-2;/h4-8,10-15,26,42H,3,9,16-25,27H2,1-2H3;1H