9-chloranyl-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine

Systemtic Name: 9-chloranyl-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Openeye Name: 9-chloro-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine CAS Name: 9-chloro-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine IUPAC Name: 9-chloro-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Traditional Name: 9-chloro-1-methoxy-3-methyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Formula: C20H16ClN3O MolecularWeight: 349.81354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C(=N1)OC

Isomeric SMILES

CC1=NC2=C(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C(=N1)OC

InChI

InChI=1S/C20H16ClN3O/c1-12-23-17-11-22-19(13-6-4-3-5-7-13)16-10-14(21)8-9-15(16)18(17)20(24-12)25-2/h3-10H,11H2,1-2H3