N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NN(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=NN(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-24(16-17-7-3-2-4-8-17)13-6-12-22-21(27)20-11-14-25(23-20)18-9-5-10-19(15-18)26(28)29/h2-5,7-11,14-15H,6,12-13,16H2,1H3,(H,22,27)