2-[(4-ethoxyphenyl)amino]-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

Systemtic Name: 2-[(4-ethoxyphenyl)amino]-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Openeye Name: 2-(4-ethoxyanilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one CAS Name: 2-(4-ethoxyanilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one IUPAC Name: 2-(4-ethoxyanilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Traditional Name: 9-methoxy-2-(p-phenetidino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=C3CC(=O)NC4=C(C3=N2)C=CC(=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=C3CC(=O)NC4=C(C3=N2)C=CC(=C4)OC

InChI

InChI=1S/C21H20N4O3/c1-3-28-15-6-4-14(5-7-15)23-21-22-12-13-10-19(26)24-18-11-16(27-2)8-9-17(18)20(13)25-21/h4-9,11-12H,3,10H2,1-2H3,(H,24,26)(H,22,23,25)