N-[4-[8-chloranyl-3-(naphthalen-2-ylmethyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-pyrimidin-4-yl-ethanamide

Systemtic Name: N-[4-[8-chloranyl-3-(naphthalen-2-ylmethyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-pyrimidin-4-yl-ethanamide Openeye Name: N-[4-[8-chloro-3-(2-naphthylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-pyrimidin-4-yl-acetamide CAS Name: N-[4-[8-chloro-3-(2-naphthalenylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-(4-pyrimidinyl)acetamide IUPAC Name: N-[4-[8-chloro-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-pyrimidin-4-ylacetamide Traditional Name: N-[4-[8-chloro-2-keto-3-(2-naphthylmethyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]phenyl]-2-(4-pyrimidyl)acetamide Formula: C32H24ClN5O2 MolecularWeight: 546.01826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC3C(=O)NC4=C(C=CC(=C4)Cl)C(=N3)C5=CC=C(C=C5)NC(=O)CC6=NC=NC=C6

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC3C(=O)NC4=C(C=CC(=C4)Cl)C(=N3)C5=CC=C(C=C5)NC(=O)CC6=NC=NC=C6

InChI

InChI=1S/C32H24ClN5O2/c33-24-9-12-27-28(17-24)38-32(40)29(16-20-5-6-21-3-1-2-4-23(21)15-20)37-31(27)22-7-10-25(11-8-22)36-30(39)18-26-13-14-34-19-35-26/h1-15,17,19,29H,16,18H2,(H,36,39)(H,38,40)