1-(3-nitrophenyl)-3-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea

Systemtic Name: 1-(3-nitrophenyl)-3-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea Openeye Name: 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3-nitrophenyl)urea CAS Name: 1-(3-nitrophenyl)-3-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea IUPAC Name: 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3-nitrophenyl)urea Traditional Name: 1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3-nitrophenyl)urea Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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