7-chloranyl-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride

Systemtic Name: 7-chloranyl-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Openeye Name: 7-chloro-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride CAS Name: 7-chloro-5-phenyl-4-[2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride IUPAC Name: 7-chloro-5-phenyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,4-benzoxazepine dihydrochloride Traditional Name: 7-chloro-5-phenyl-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=C(C2C4=CC=CC=C4)C=C(C=C3)Cl.Cl.Cl

Isomeric SMILES

C1CCN(C1)CCN2CCOC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl.Cl.Cl

InChI

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