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

Systemtic Name: 3-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-1,6,7,8-tetrahydroquinoline-2,5-dione Openeye Name: 3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione CAS Name: 3-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione IUPAC Name: 3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione Traditional Name: 3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=O)N2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C22H25N3O4/c26-20-8-4-7-19-17(20)15-18(21(27)23-19)22(28)25-11-9-24(10-12-25)13-14-29-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14H2,(H,23,27)