3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione Openeye Name: 3-[4-(m-tolylmethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-1,6,7,8-tetrahydroquinoline-2,5-dione IUPAC Name: 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione Traditional Name: 3-[4-(3-methylbenzyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

InChI

InChI=1S/C22H25N3O3/c1-15-4-2-5-16(12-15)14-24-8-10-25(11-9-24)22(28)18-13-17-19(23-21(18)27)6-3-7-20(17)26/h2,4-5,12-13H,3,6-11,14H2,1H3,(H,23,27)