1-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidine-3-carboxamide Openeye Name: 1-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperidine-3-carboxamide CAS Name: 1-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperidine-3-carboxamide Traditional Name: 1-[[(3E)-6-keto-3-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-1,4-dien-1-yl]methyl]nipecotamide Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C(=C2)CN3CCCC(C3)C(=O)N)C4=CC=CC=C4N1

Isomeric SMILES

CC1=C/C(=C\2/C=CC(=O)C(=C2)CN3CCCC(C3)C(=O)N)/C4=CC=CC=C4N1

InChI

InChI=1S/C23H25N3O2/c1-15-11-20(19-6-2-3-7-21(19)25-15)16-8-9-22(27)18(12-16)14-26-10-4-5-17(13-26)23(24)28/h2-3,6-9,11-12,17,25H,4-5,10,13-14H2,1H3,(H2,24,28)/b20-16+