2-methylpropyl 4-[(4Z)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[(4Z)-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[(4Z)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate CAS Name: 4-[(4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-2-yl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(4Z)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[(4Z)-4-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-2-yl]piperazine-1-carboxylic acid isobutyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=CC(=C3C=CC=CC3=O)C=CN2

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=C/C(=C\3/C=CC=CC3=O)/C=CN2

InChI

InChI=1S/C20H25N3O3/c1-15(2)14-26-20(25)23-11-9-22(10-12-23)19-13-16(7-8-21-19)17-5-3-4-6-18(17)24/h3-8,13,15,21H,9-12,14H2,1-2H3/b17-16-