[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C23H29N3O4/c1-16(22(28)25-14-6-2-3-7-15-25)30-21(27)13-12-20-24-19-9-5-4-8-18(19)23(29)26(20)17-10-11-17/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3