2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-[(6-nitro-1-indazolyl)methyl]-1-piperazinyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-[(6-nitroindazol-1-yl)methyl]piperazino]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C21H21N7O3/c29-21-11-17(23-20-3-1-2-6-26(20)21)14-24-7-9-25(10-8-24)15-27-19-12-18(28(30)31)5-4-16(19)13-22-27/h1-6,11-13H,7-10,14-15H2