phenyl N-[4-[2-(butanoylamino)pyridin-4-yl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]carbamate

Systemtic Name: phenyl N-[4-[2-(butanoylamino)pyridin-4-yl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]carbamate Openeye Name: phenyl N-[4-[2-(butanoylamino)-4-pyridyl]-6-oxo-cyclohexa-1,3-dien-1-yl]carbamate CAS Name: N-[6-oxo-4-[2-(1-oxobutylamino)-4-pyridinyl]-1-cyclohexa-1,3-dienyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[4-[2-(butanoylamino)pyridin-4-yl]-6-oxocyclohexa-1,3-dien-1-yl]carbamate Traditional Name: N-[4-(2-butyramido-4-pyridyl)-6-keto-cyclohexa-1,3-dien-1-yl]carbamic acid phenyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC=CC(=C1)C2=CC=C(C(=O)C2)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=NC=CC(=C1)C2=CC=C(C(=O)C2)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-2-6-21(27)25-20-14-16(11-12-23-20)15-9-10-18(19(26)13-15)24-22(28)29-17-7-4-3-5-8-17/h3-5,7-12,14H,2,6,13H2,1H3,(H,24,28)(H,23,25,27)