5-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride

Systemtic Name: 5-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Openeye Name: 5-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride CAS Name: 5-(4-chlorophenyl)-4-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride IUPAC Name: 5-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Traditional Name: 5-(4-chlorophenyl)-4-(2-pyrrolidinoethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Formula: C21H27Cl3N2O MolecularWeight: 429.81088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCOC3=CC=CC=C3C2C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1CCN(C1)CCN2CCOC3=CC=CC=C3C2C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H25ClN2O.2ClH/c22-18-9-7-17(8-10-18)21-19-5-1-2-6-20(19)25-16-15-24(21)14-13-23-11-3-4-12-23;;/h1-2,5-10,21H,3-4,11-16H2;2*1H