3-[5-azanyl-4-[3-(hydroxymethyl)phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-[3-(hydroxymethyl)phenyl]carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-[3-(hydroxymethyl)benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[[3-(hydroxymethyl)phenyl]-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-[3-(hydroxymethyl)benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-(3-methylolbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)CO)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)CO)N

InChI

InChI=1S/C22H22N4O3/c1-13-5-6-16(22(29)25-17-7-8-17)10-19(13)26-21(23)18(11-24-26)20(28)15-4-2-3-14(9-15)12-27/h2-6,9-11,17,27H,7-8,12,23H2,1H3,(H,25,29)