(9-chloranyl-3-methyl-1-oxidanylidene-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) ethanoate

Systemtic Name: (9-chloranyl-3-methyl-1-oxidanylidene-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) ethanoate Openeye Name: (9-chloro-3-methyl-1-oxo-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) acetate CAS Name: acetic acid (9-chloro-3-methyl-1-oxo-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) ester IUPAC Name: (9-chloro-3-methyl-1-oxo-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) acetate Traditional Name: acetic acid (9-chloro-1-keto-3-methyl-7-phenyl-4,5-dihydropyrimido[4,5-d][2]benzazepin-5-yl) ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C(N=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C(N=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C21H16ClN3O3/c1-11-23-19-17(20(27)24-11)15-9-8-14(22)10-16(15)18(13-6-4-3-5-7-13)25-21(19)28-12(2)26/h3-10,21H,1-2H3,(H,23,24,27)