1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-(3-nitrophenyl)urea Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O3/c1-13-7-4-5-8-16(13)12-24-15(3)19(14(2)23-24)22-20(26)21-17-9-6-10-18(11-17)25(27)28/h4-11H,12H2,1-3H3,(H2,21,22,26)