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

Systemtic Name: (phenylmethyl) N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)CN

InChI

InChI=1S/C28H29N3O3/c1-19(2)17-31-25(16-29)26(21-11-7-4-8-12-21)24-15-22(13-14-23(24)27(31)32)30-28(33)34-18-20-9-5-3-6-10-20/h3-15,19H,16-18,29H2,1-2H3,(H,30,33)