N-(2-dimethylaminoethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O3/c1-28(2)15-16-30(19-20-9-5-4-6-10-20)26(33)25-18-23(24-13-8-14-29(24)3)27-31(25)21-11-7-12-22(17-21)32(34)35/h4-14,17-18H,15-16,19H2,1-3H3