N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H25N7O3 MolecularWeight: 459.5004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N7O3/c25-16-19-20(28-30(23(19)26)18-7-2-1-3-8-18)9-6-12-27-24(32)17-10-11-21(22(15-17)31(33)34)29-13-4-5-14-29/h1-3,7-8,10-11,15H,4-6,9,12-14,26H2,(H,27,32)