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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-keto-1-phenyl-pyrrolidine-3-carboxamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2/c33-26-18-21(19-32(26)23-11-4-3-5-12-23)27(34)28-22-10-8-9-20(17-22)24-13-14-25(30-29-24)31-15-6-1-2-7-16-31/h3-5,8-14,17,21H,1-2,6-7,15-16,18-19H2,(H,28,34)