4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-[5-(1-pyrrolidinyl)-1H-pyrrol-3-yl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidin-1-yl-1H-pyrrol-3-yl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-3-(5-pyrrolidino-1H-pyrrol-3-yl)-3,4-dihydroisocarbostyril Formula: C29H32ClN5O2 MolecularWeight: 518.04968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C5=CNC(=C5)N6CCCC6

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C5=CNC(=C5)N6CCCC6

InChI

InChI=1S/C29H32ClN5O2/c1-32-27(20-18-25(31-19-20)34-12-4-5-13-34)26(23-6-2-3-7-24(23)28(32)36)29(37)35-16-14-33(15-17-35)22-10-8-21(30)9-11-22/h2-3,6-11,18-19,26-27,31H,4-5,12-17H2,1H3