3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-prop-2-enyl-quinolin-4-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-prop-2-enyl-quinolin-4-one Openeye Name: 1-allyl-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-4-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-prop-2-enyl-4-quinolinone IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-prop-2-enylquinolin-4-one Traditional Name: 1-allyl-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-quinolone Formula: C32H31ClN4O4S MolecularWeight: 603.13094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)N5CCN(CC5)C6=CC(=CC=C6)Cl

Isomeric SMILES

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C(=O)N5CCN(CC5)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C32H31ClN4O4S/c1-2-13-36-22-29(32(39)35-17-15-34(16-18-35)26-9-5-8-25(33)19-26)31(38)28-20-27(10-11-30(28)36)42(40,41)37-14-12-23-6-3-4-7-24(23)21-37/h2-11,19-20,22H,1,12-18,21H2