3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6,7-diethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]-6,7-diethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[3-(1-azepanyl)-3-oxopropyl]-6,7-diethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[3-(azepan-1-yl)-3-keto-propyl]-6,7-diethoxy-1H-quinazoline-2,4-quinone Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C21H29N3O5/c1-3-28-17-13-15-16(14-18(17)29-4-2)22-21(27)24(20(15)26)12-9-19(25)23-10-7-5-6-8-11-23/h13-14H,3-12H2,1-2H3,(H,22,27)