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

Systemtic Name: 3-[5-azanyl-4-(3-cyanophenyl)carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[(3-cyanophenyl)-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H19N5O2 MolecularWeight: 385.41856

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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)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)