5-(4-ethanoyl-1,4-diazepan-1-yl)-N-[(5E)-5-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide

Systemtic Name: 5-(4-ethanoyl-1,4-diazepan-1-yl)-N-[(5E)-5-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide Openeye Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[(5E)-5-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide CAS Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[(5E)-5-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-3-yl]pentanamide IUPAC Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[(5E)-5-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]pentanamide Traditional Name: 5-(4-acetyl-1,4-diazepan-1-yl)-N-[(5E)-5-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-3-yl]valeramide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CCCCC(=O)NC2=CC(=C3C=CC(=CC3=O)OC)NN2

Isomeric SMILES

CC(=O)N1CCCN(CC1)CCCCC(=O)NC2=C/C(=C\3/C=CC(=CC3=O)OC)/NN2

InChI

InChI=1S/C22H31N5O4/c1-16(28)27-11-5-10-26(12-13-27)9-4-3-6-22(30)23-21-15-19(24-25-21)18-8-7-17(31-2)14-20(18)29/h7-8,14-15,24-25H,3-6,9-13H2,1-2H3,(H,23,30)/b19-18+