3-(aminomethyl)-6-chloranyl-2-(2,2-dimethylpropyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-6-chloranyl-2-(2,2-dimethylpropyl)-4-phenyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-6-chloro-2-(2,2-dimethylpropyl)-4-phenyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-6-chloro-2-(2,2-dimethylpropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-6-chloro-2-(2,2-dimethylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-6-chloro-2-neopentyl-4-phenyl-isocarbostyril Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O/c1-21(2,3)13-24-18(12-23)19(14-7-5-4-6-8-14)17-11-15(22)9-10-16(17)20(24)25/h4-11H,12-13,23H2,1-3H3