1-[3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propyl]azepan-2-one Openeye Name: 1-[3-[[2-(3-pyridyl)quinazolin-4-yl]amino]propyl]azepan-2-one CAS Name: 1-[3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]propyl]-2-azepanone IUPAC Name: 1-[3-[(2-pyridin-3-ylquinazolin-4-yl)amino]propyl]azepan-2-one Traditional Name: 1-[3-[[2-(3-pyridyl)quinazolin-4-yl]amino]propyl]azepan-2-one Formula: C22H25N5O MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5O/c28-20-11-2-1-5-14-27(20)15-7-13-24-22-18-9-3-4-10-19(18)25-21(26-22)17-8-6-12-23-16-17/h3-4,6,8-10,12,16H,1-2,5,7,11,13-15H2,(H,24,25,26)