8-chloranyl-7-methyl-4-(3-pyridin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-chloranyl-7-methyl-4-(3-pyridin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-7-methyl-4-[3-(4-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-7-methyl-4-(3-pyridin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-7-methyl-4-(3-pyridin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-7-methyl-4-[3-(4-pyridyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H16ClN3O MolecularWeight: 361.82424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H16ClN3O/c1-13-9-19-20(11-17(13)22)25-21(26)12-18(24-19)16-4-2-3-15(10-16)14-5-7-23-8-6-14/h2-11H,12H2,1H3,(H,25,26)