(3E)-N-[2-(azepan-1-yl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: (3E)-N-[2-(azepan-1-yl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide Openeye Name: (3E)-N-[2-(azepan-1-yl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-oxo-cyclohexa-1,4-diene-1-carboxamide CAS Name: (3E)-N-[2-(1-azepanyl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-oxo-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: (3E)-N-[2-(azepan-1-yl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxamide Traditional Name: (3E)-N-[2-(azepan-1-yl)ethyl]-3-(2,4-dihydro-1H-indeno[1,2-c]pyrazol-3-ylidene)-6-keto-cyclohexa-1,4-diene-1-carboxamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC(=C3C4=C(C5=CC=CC=C5C4)NN3)C=CC2=O

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=C/C(=C/3\C4=C(C5=CC=CC=C5C4)NN3)/C=CC2=O

InChI

InChI=1S/C25H28N4O2/c30-22-10-9-18(23-21-15-17-7-3-4-8-19(17)24(21)28-27-23)16-20(22)25(31)26-11-14-29-12-5-1-2-6-13-29/h3-4,7-10,16,27-28H,1-2,5-6,11-15H2,(H,26,31)/b23-18+