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

Systemtic Name: 9-chloranyl-1,3-dimethyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Openeye Name: 9-chloro-1,3-dimethyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine CAS Name: 9-chloro-1,3-dimethyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine IUPAC Name: 9-chloro-1,3-dimethyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Traditional Name: 9-chloro-1,3-dimethyl-7-phenyl-5H-pyrimido[4,5-d][2]benzazepine Formula: C20H16ClN3 MolecularWeight: 333.81414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=NC2=C1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C

InChI

InChI=1S/C20H16ClN3/c1-12-19-16-9-8-15(21)10-17(16)20(14-6-4-3-5-7-14)22-11-18(19)24-13(2)23-12/h3-10H,11H2,1-2H3