2-[2-(azepan-1-yl)ethoxy]-3-phenyl-pyrazino[1,2-a]pyrimidin-4-one hydrochloride

Systemtic Name: 2-[2-(azepan-1-yl)ethoxy]-3-phenyl-pyrazino[1,2-a]pyrimidin-4-one hydrochloride Openeye Name: 2-[2-(azepan-1-yl)ethoxy]-3-phenyl-pyrazino[1,2-a]pyrimidin-4-one hydrochloride CAS Name: 2-[2-(1-azepanyl)ethoxy]-3-phenyl-4-pyrazino[1,2-a]pyrimidinone hydrochloride IUPAC Name: 2-[2-(azepan-1-yl)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one hydrochloride Traditional Name: 2-[2-(azepan-1-yl)ethoxy]-3-phenyl-pyrazino[1,2-a]pyrimidin-4-one hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCCN(CC1)CCOC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H24N4O2.ClH/c26-21-19(17-8-4-3-5-9-17)20(23-18-16-22-10-13-25(18)21)27-15-14-24-11-6-1-2-7-12-24;/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2;1H