4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,3-diphenylpropyl)butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3,3-diphenylpropyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(3,3-diphenylpropyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-(3,3-diphenylpropyl)butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,3-diphenylpropyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-(3,3-diphenylpropyl)butyramide Formula: C29H28BrN3O2 MolecularWeight: 530.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C29H28BrN3O2/c30-25-15-13-24(14-16-25)27-17-18-29(35)33(32-27)21-7-12-28(34)31-20-19-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-18,26H,7,12,19-21H2,(H,31,34)