2-[(3-chloranyl-4-oxidanyl-phenyl)amino]-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

Systemtic Name: 2-[(3-chloranyl-4-oxidanyl-phenyl)amino]-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Openeye Name: 2-(3-chloro-4-hydroxy-anilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one CAS Name: 2-(3-chloro-4-hydroxyanilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one IUPAC Name: 2-(3-chloro-4-hydroxyanilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Traditional Name: 2-(3-chloro-4-hydroxy-anilino)-9-methoxy-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC(=O)N2)NC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC(=O)N2)NC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C19H15ClN4O3/c1-27-12-3-4-13-15(8-12)23-17(26)6-10-9-21-19(24-18(10)13)22-11-2-5-16(25)14(20)7-11/h2-5,7-9,25H,6H2,1H3,(H,23,26)(H,21,22,24)