5-(4-ethanoyl-1,4-diazepan-1-yl)-N-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide

Systemtic Name: 5-(4-ethanoyl-1,4-diazepan-1-yl)-N-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide Openeye Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide CAS Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydropyrazol-3-yl]pentanamide IUPAC Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide Traditional Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-3-yl]valeramide Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CCCCC(=O)NC2=CC(=C3C=CC(=O)C=C3)NN2

Isomeric SMILES

CC(=O)N1CCCN(CC1)CCCCC(=O)NC2=CC(=C3C=CC(=O)C=C3)NN2

InChI

InChI=1S/C21H29N5O3/c1-16(27)26-12-4-11-25(13-14-26)10-3-2-5-21(29)22-20-15-19(23-24-20)17-6-8-18(28)9-7-17/h6-9,15,23-24H,2-5,10-14H2,1H3,(H,22,29)