2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C24H27N3O3/c1-17-6-5-9-21(18(17)2)25-12-14-26(15-13-25)22(28)10-11-27-23(29)16-19-7-3-4-8-20(19)24(27)30/h3-9H,10-16H2,1-2H3