4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-(cyclopropylamino)-N-methyl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-24(13-15-12-22-25(14-15)18-5-3-2-4-6-18)21(27)16-7-10-19(23-17-8-9-17)20(11-16)26(28)29/h2-7,10-12,14,17,23H,8-9,13H2,1H3