3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]-N-propan-2-yl-benzamide

Systemtic Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzamide CAS Name: 3-nitro-4-[(1-phenyl-4-pyrazolyl)methylamino]-N-propan-2-ylbenzamide IUPAC Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14(2)23-20(26)16-8-9-18(19(10-16)25(27)28)21-11-15-12-22-24(13-15)17-6-4-3-5-7-17/h3-10,12-14,21H,11H2,1-2H3,(H,23,26)