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

Systemtic Name: 4-imidazol-1-yl-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)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-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)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C24H22N6O3 MolecularWeight: 442.46988

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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(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3/c31-24(18-9-10-22(23(13-18)30(32)33)28-12-11-25-16-28)27-20-7-4-8-21-19(20)14-26-29(21)15-17-5-2-1-3-6-17/h1-3,5-6,9-14,16,20H,4,7-8,15H2,(H,27,31)