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

Systemtic Name: 3-nitro-2-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propylamino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-nitro-2-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[3-(4-benzylpiperazino)propylamino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3/c29-22-20(28(30)31)21(24-19-9-4-5-12-27(19)22)23-10-6-11-25-13-15-26(16-14-25)17-18-7-2-1-3-8-18/h1-5,7-9,12,23H,6,10-11,13-17H2