methyl N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]carbamate

Systemtic Name: methyl N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]carbamate Openeye Name: methyl N-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]carbamate CAS Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]carbamate Traditional Name: N-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]carbamic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-14(2)13-25-19(12-23)20(15-7-5-4-6-8-15)18-11-16(24-22(27)28-3)9-10-17(18)21(25)26/h4-11,14H,12-13,23H2,1-3H3,(H,24,27)