4-(3-bromophenyl)carbonyl-7-chloranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(3-bromophenyl)carbonyl-7-chloranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3-bromobenzoyl)-7-chloro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(3-bromophenyl)-oxomethyl]-7-chloro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3-bromobenzoyl)-7-chloro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3-bromobenzoyl)-7-chloro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C20H14BrClN2O2S MolecularWeight: 461.75936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC(=CC=C3)Br)C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC(=CC=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H14BrClN2O2S/c21-13-4-1-3-12(9-13)20(26)24-11-18(25)23-16-7-6-14(22)10-15(16)19(24)17-5-2-8-27-17/h1-10,19H,11H2,(H,23,25)