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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-quinone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H23N3O3/c25-19-8-4-7-18-16(19)13-17(20(26)22-18)21(27)24-11-9-23(10-12-24)14-15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,22,26)