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

Systemtic Name: ethyl N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]carbamate Openeye Name: ethyl N-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]carbamate CAS Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl]carbamate Traditional Name: N-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]carbamic acid ethyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CN)CC(C)C

Isomeric SMILES

CCOC(=O)NCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CN)CC(C)C

InChI

InChI=1S/C24H29N3O3/c1-4-30-24(29)26-14-17-10-11-19-20(12-17)22(18-8-6-5-7-9-18)21(13-25)27(23(19)28)15-16(2)3/h5-12,16H,4,13-15,25H2,1-3H3,(H,26,29)