4-(3,5-dimethylpiperidin-1-yl)carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)carbonyl-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C28H33N3O3/c1-18-14-19(2)17-30(16-18)28(33)25-21-9-4-5-10-22(21)27(32)31(12-13-34-3)26(25)23-15-29-24-11-7-6-8-20(23)24/h4-11,15,18-19,25-26,29H,12-14,16-17H2,1-3H3