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

Systemtic Name: 8-chloranyl-7-methyl-4-(3-pyrimidin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-7-methyl-4-(3-pyrimidin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-7-methyl-4-[3-(4-pyrimidinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-7-methyl-4-(3-pyrimidin-4-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-7-methyl-4-[3-(4-pyrimidyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O/c1-12-7-18-19(9-15(12)21)25-20(26)10-17(24-18)14-4-2-3-13(8-14)16-5-6-22-11-23-16/h2-9,11H,10H2,1H3,(H,25,26)