N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methyl-butanamide

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-(m-tolyl)-7-isoquinolyl]-3-methyl-butyramide Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)CC(C)C)CCOC)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)CC(C)C)CCOC)N

InChI

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