ethyl 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxo-cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(3-chlorophenyl)-1-piperazinyl]-3,4-dioxo-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-3,4-dioxocyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(3-chlorophenyl)piperazino]-3,4-diketo-cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H26ClN3O4/c1-2-30-22(29)15-5-4-8-26(14-15)19-18(20(27)21(19)28)25-11-9-24(10-12-25)17-7-3-6-16(23)13-17/h3,6-7,13,15H,2,4-5,8-12,14H2,1H3