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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-(3-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-bromophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C27H28BrN5O2 MolecularWeight: 534.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H28BrN5O2/c28-21-8-6-10-23(17-21)33-18-20(16-26(33)34)27(35)29-22-9-5-7-19(15-22)24-11-12-25(31-30-24)32-13-3-1-2-4-14-32/h5-12,15,17,20H,1-4,13-14,16,18H2,(H,29,35)