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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1Cl)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=NC=CC=N4

InChI

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