2-(aminocarbonylamino)-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 2-(aminocarbonylamino)-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide Openeye Name: 3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-3-methyl-N-[[4-(1-pyrazolyl)phenyl]methyl]butanamide IUPAC Name: 2-(carbamoylamino)-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide Traditional Name: 3-methyl-N-(4-pyrazol-1-ylbenzyl)-2-ureido-butyramide Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)N

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)N

InChI

InChI=1S/C16H21N5O2/c1-11(2)14(20-16(17)23)15(22)18-10-12-4-6-13(7-5-12)21-9-3-8-19-21/h3-9,11,14H,10H2,1-2H3,(H,18,22)(H3,17,20,23)