6-chloranyl-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-chloranyl-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-chloro-2-phenyl-4-[2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-chloro-2-phenyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-chloro-2-phenyl-4-(2-pyrrolidinoethyl)-1,4-benzoxazin-3-one hydrochloride Formula: C20H22Cl2N2O2 MolecularWeight: 393.30688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CCN2C3=C(C=CC(=C3)Cl)OC(C2=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C20H21ClN2O2.ClH/c21-16-8-9-18-17(14-16)23(13-12-22-10-4-5-11-22)20(24)19(25-18)15-6-2-1-3-7-15;/h1-3,6-9,14,19H,4-5,10-13H2;1H