3-(aminomethyl)-6-(4-azanyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-6-(4-azanyl-1,3-thiazol-2-yl)-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-6-(4-aminothiazol-2-yl)-2-isobutyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-6-(4-amino-2-thiazolyl)-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-6-(4-amino-1,3-thiazol-2-yl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-6-(4-aminothiazol-2-yl)-2-isobutyl-4-phenyl-isocarbostyril Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)N)C4=CC=CC=C4)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)N)C4=CC=CC=C4)CN

InChI

InChI=1S/C23H24N4OS/c1-14(2)12-27-19(11-24)21(15-6-4-3-5-7-15)18-10-16(8-9-17(18)23(27)28)22-26-20(25)13-29-22/h3-10,13-14H,11-12,24-25H2,1-2H3