N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-keto-pyrrolidine-2-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4CCC(=O)N4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4CCC(=O)N4

InChI

InChI=1S/C21H25N5O2/c27-20-11-9-18(23-20)21(28)22-16-7-5-6-15(14-16)17-8-10-19(25-24-17)26-12-3-1-2-4-13-26/h5-8,10,14,18H,1-4,9,11-13H2,(H,22,28)(H,23,27)