5-azanyl-3-[3-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H18N8O3 MolecularWeight: 430.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C21H18N8O3/c22-13-15-16(26-28(19(15)23)14-7-2-1-3-8-14)9-6-11-24-20-18(29(31)32)21(30)27-12-5-4-10-17(27)25-20/h1-5,7-8,10,12,24H,6,9,11,23H2