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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxo-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxo-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxoisoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(2-methoxyphenyl)-7-isoquinolyl]-3-methyl-butyramide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27N3O3/c1-14(2)12-21(28)26-15-8-11-17-19(13-15)24(29)27(16-9-10-16)23(25)22(17)18-6-4-5-7-20(18)30-3/h4-8,11,13-14,16H,9-10,12,25H2,1-3H3,(H,26,28)