2-butyl-3-(3-chlorophenyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-butyl-3-(3-chlorophenyl)-4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-butyl-3-(3-chlorophenyl)-4-[4-(2-furoyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C29H30ClN3O4 MolecularWeight: 520.0192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H30ClN3O4/c1-2-3-13-33-26(20-8-6-9-21(30)19-20)25(22-10-4-5-11-23(22)27(33)34)29(36)32-16-14-31(15-17-32)28(35)24-12-7-18-37-24/h4-12,18-19,25-26H,2-3,13-17H2,1H3