3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(2-thiazol-4-ylethyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-[2-(4-thiazolyl)ethyl]-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(2-thiazol-4-ylethyl)isocarbostyril Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC3=CSC=N3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC3=CSC=N3)CC(C)C)CN

InChI

InChI=1S/C23H31N3O2S/c1-4-5-10-28-22-20-11-17(6-8-18-14-29-15-25-18)7-9-19(20)23(27)26(13-16(2)3)21(22)12-24/h7,9,11,14-16H,4-6,8,10,12-13,24H2,1-3H3