2-(2-methoxyethyl)-4-(4-phenethylpiperazin-1-yl)carbonyl-3-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(2-methoxyethyl)-4-(4-phenethylpiperazin-1-yl)carbonyl-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(2-methoxyethyl)-4-(4-phenethylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-(2-methoxyethyl)-4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(2-methoxyethyl)-4-(4-phenethylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(2-methoxyethyl)-4-(4-phenethylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3/c1-37-23-22-34-29(25-12-6-3-7-13-25)28(26-14-8-9-15-27(26)30(34)35)31(36)33-20-18-32(19-21-33)17-16-24-10-4-2-5-11-24/h2-15,28-29H,16-23H2,1H3