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

Systemtic Name: N-[3-azanyl-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-2-(3-methoxypropyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-1-keto-2-(3-methoxypropyl)-4-(m-tolyl)-7-isoquinolyl]-3-methyl-butyramide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-16(2)13-22(29)27-19-9-10-20-21(15-19)25(30)28(11-6-12-31-4)24(26)23(20)18-8-5-7-17(3)14-18/h5,7-10,14-16H,6,11-13,26H2,1-4H3,(H,27,29)