N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C28H31N5O2/c1-20-9-11-24(12-10-20)33-19-22(18-27(33)34)28(35)29-23-8-6-7-21(17-23)25-13-14-26(31-30-25)32-15-4-2-3-5-16-32/h6-14,17,22H,2-5,15-16,18-19H2,1H3,(H,29,35)