N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-5-oxo-1-(2-pyridylmethyl)pyrrolidine-3-carboxamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-5-oxo-1-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-5-keto-1-(2-pyridylmethyl)pyrrolidine-3-carboxamide Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CC(=O)N(C3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CC(=O)N(C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H29N5O2/c29-22-13-19(16-28(22)17-20-7-3-4-10-24-20)23(30)26-15-18-8-9-21(25-14-18)27-11-5-1-2-6-12-27/h3-4,7-10,14,19H,1-2,5-6,11-13,15-17H2,(H,26,30)