4-(cyclopropylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(16-6-9-19(24-17-7-8-17)20(12-16)26(28)29)22-11-10-15-13-23-25(14-15)18-4-2-1-3-5-18/h1-6,9,12-14,17,24H,7-8,10-11H2,(H,22,27)