3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitro-benzamide CAS Name: 3-nitro-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitrobenzamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-nitro-benzamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c26-21(16-8-4-9-17(12-16)25(27)28)23-19-10-5-11-20-18(19)13-22-24(20)14-15-6-2-1-3-7-15/h1-4,6-9,12-13,19H,5,10-11,14H2,(H,23,26)