N-tert-butyl-2-[4-(2-pyridin-4-ylquinolin-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-pyridin-4-ylquinolin-4-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-pyridyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-pyridyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C26H31N5O2 MolecularWeight: 445.55664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C26H31N5O2/c1-26(2,3)29-24(32)18-30-13-6-14-31(16-15-30)25(33)21-17-23(19-9-11-27-12-10-19)28-22-8-5-4-7-20(21)22/h4-5,7-12,17H,6,13-16,18H2,1-3H3,(H,29,32)