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

Systemtic Name: 8-chloranyl-7-(2-methylpropylamino)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-chloro-7-(isobutylamino)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-chloro-7-(2-methylpropylamino)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-chloro-7-(2-methylpropylamino)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-chloro-7-(isobutylamino)-4-[3-(5-pyrimidyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C4=CN=CN=C4)Cl

Isomeric SMILES

CC(C)CNC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C4=CN=CN=C4)Cl

InChI

InChI=1S/C23H22ClN5O/c1-14(2)10-27-20-8-22-21(7-18(20)24)29-23(30)9-19(28-22)16-5-3-4-15(6-16)17-11-25-13-26-12-17/h3-8,11-14,27H,9-10H2,1-2H3,(H,29,30)