2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-nitro-2-(4-piperonylpiperazino)pyrido[1,2-a]pyrimidin-4-one Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N5C=CC=CC5=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c26-20-18(25(27)28)19(21-17-3-1-2-6-24(17)20)23-9-7-22(8-10-23)12-14-4-5-15-16(11-14)30-13-29-15/h1-6,11H,7-10,12-13H2