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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-nitro-2-(4-veratrylpiperazino)pyrido[1,2-a]pyrimidin-4-one Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O5/c1-30-16-7-6-15(13-17(16)31-2)14-23-9-11-24(12-10-23)20-19(26(28)29)21(27)25-8-4-3-5-18(25)22-20/h3-8,13H,9-12,14H2,1-2H3