9-chloranyl-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 9-chloranyl-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 9-chloro-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 9-chloro-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 9-chloro-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 9-chloro-7-(3,4-dimethylphenyl)-1-ethyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H20ClN3O/c1-4-17-11-21(27)25-20-12-24-22(15-6-5-13(2)14(3)9-15)18-10-16(23)7-8-19(18)26(17)20/h5-11H,4,12H2,1-3H3