3-azanyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitro-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitro-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-4-(4-methylthiazol-2-yl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(4-methyl-2-thiazolyl)-7-nitro-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-4-(4-methyl-1,3-thiazol-2-yl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-4-(4-methylthiazol-2-yl)-7-nitro-isocarbostyril Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CSC(=N1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)N

InChI

InChI=1S/C20H16N4O3S/c1-12-11-28-19(22-12)17-15-8-7-14(24(26)27)9-16(15)20(25)23(18(17)21)10-13-5-3-2-4-6-13/h2-9,11H,10,21H2,1H3