4-(azepan-1-ylcarbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN2O3/c1-31-17-16-28-23(18-10-12-19(26)13-11-18)22(20-8-4-5-9-21(20)24(28)29)25(30)27-14-6-2-3-7-15-27/h4-5,8-13,22-23H,2-3,6-7,14-17H2,1H3