4-(azepan-1-yl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-methyl-2,4-bis(oxidanylidene)butanamide

Systemtic Name: 4-(azepan-1-yl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-methyl-2,4-bis(oxidanylidene)butanamide Openeye Name: 4-(azepan-1-yl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-methyl-2,4-dioxo-butanamide CAS Name: 4-(1-azepanyl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-methyl-2,4-dioxobutanamide IUPAC Name: 4-(azepan-1-yl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-methyl-2,4-dioxobutanamide Traditional Name: 4-(azepan-1-yl)-3-(3,3-dimethyl-4H-isoquinolin-1-yl)-2,4-diketo-N-methyl-butyramide Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C(C(=O)C(=O)NC)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C(C(=O)C(=O)NC)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H29N3O3/c1-22(2)14-15-10-6-7-11-16(15)18(24-22)17(19(26)20(27)23-3)21(28)25-12-8-4-5-9-13-25/h6-7,10-11,17H,4-5,8-9,12-14H2,1-3H3,(H,23,27)