N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H31N5O3/c1-21-13-14-24(17-22(21)2)27-19-28(33(30-27)25-11-8-12-26(18-25)34(36)37)29(35)32(16-15-31(3)4)20-23-9-6-5-7-10-23/h5-14,17-19H,15-16,20H2,1-4H3