3-azanyl-5-[5-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-(4-benzoyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-(4-benzoyl-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-(4-benzoyl-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-(4-benzoyl-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c23-14-17-18(26-27-22(17)24)9-5-2-6-12-25-19-11-10-16(13-20(19)28(30)31)21(29)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13,25H,2,5-6,9,12H2,(H3,24,26,27)