ethyl 3-[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxo-propanoate CAS Name: 3-[4-(1-azepanyl)-2-(2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropanoate Traditional Name: 3-[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-keto-propionic acid ethyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=N3)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=N3)N4CCCCCC4

InChI

InChI=1S/C23H29N5O3/c1-2-31-21(30)15-20(29)28-14-10-18-17(16-28)23(27-12-7-3-4-8-13-27)26-22(25-18)19-9-5-6-11-24-19/h5-6,9,11H,2-4,7-8,10,12-16H2,1H3