3-(aminomethyl)-2-(2-methylpropyl)-7-oxidanyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-7-oxidanyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-7-hydroxy-2-isobutyl-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-7-hydroxy-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-7-hydroxy-2-(2-methylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-7-hydroxy-2-isobutyl-4-phenyl-isocarbostyril Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3)CN

InChI

InChI=1S/C20H22N2O2/c1-13(2)12-22-18(11-21)19(14-6-4-3-5-7-14)16-9-8-15(23)10-17(16)20(22)24/h3-10,13,23H,11-12,21H2,1-2H3