4-(cyclopropylamino)-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[4-(pyrazol-1-ylmethyl)benzyl]benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4)[N+](=O)[O-]

InChI

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