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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C27H28ClN5O2 MolecularWeight: 489.99652

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O2/c28-21-8-10-23(11-9-21)33-18-20(17-26(33)34)27(35)29-22-7-5-6-19(16-22)24-12-13-25(31-30-24)32-14-3-1-2-4-15-32/h5-13,16,20H,1-4,14-15,17-18H2,(H,29,35)