2-(3-azanyl-1,2-benzoxazol-5-yl)-N-isoquinolin-7-yl-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-N-isoquinolin-7-yl-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-(7-isoquinolyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-(7-isoquinolinyl)-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-isoquinolin-7-yl-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-5-yl)-N-(7-isoquinolyl)-5-methyl-pyrazole-3-carboxamide Formula: C21H16N6O2 MolecularWeight: 384.39074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)C=CN=C3)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)C=CN=C3)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C21H16N6O2/c1-12-8-18(21(28)24-15-3-2-13-6-7-23-11-14(13)9-15)27(25-12)16-4-5-19-17(10-16)20(22)26-29-19/h2-11H,1H3,(H2,22,26)(H,24,28)