azepan-1-yl-[2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridin-3-yl]methanone

Systemtic Name: azepan-1-yl-[2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridin-3-yl]methanone Openeye Name: azepan-1-yl-[2-[2-(4-pyridyl)pyrrolidin-1-yl]-3-pyridyl]methanone CAS Name: 1-azepanyl-[2-(2-pyridin-4-yl-1-pyrrolidinyl)-3-pyridinyl]methanone IUPAC Name: azepan-1-yl-[2-(2-pyridin-4-ylpyrrolidin-1-yl)pyridin-3-yl]methanone Traditional Name: azepan-1-yl-[2-[2-(4-pyridyl)pyrrolidino]-3-pyridyl]methanone Formula: C21H26N4O MolecularWeight: 350.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N=CC=C2)N3CCCC3C4=CC=NC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N=CC=C2)N3CCCC3C4=CC=NC=C4

InChI

InChI=1S/C21H26N4O/c26-21(24-14-3-1-2-4-15-24)18-7-5-11-23-20(18)25-16-6-8-19(25)17-9-12-22-13-10-17/h5,7,9-13,19H,1-4,6,8,14-16H2