2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-nitro-2-(4-veratroylpiperazino)pyrido[1,2-a]pyrimidin-4-one Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N5O6/c1-31-15-7-6-14(13-16(15)32-2)20(27)24-11-9-23(10-12-24)19-18(26(29)30)21(28)25-8-4-3-5-17(25)22-19/h3-8,13H,9-12H2,1-2H3