[(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(4-methylphenyl)methanone Openeye Name: [(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(p-tolyl)methanone CAS Name: [(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(4-methylphenyl)methanone IUPAC Name: [(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(4-methylphenyl)methanone Traditional Name: [(2S)-4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-(p-tolyl)methanone Formula: C29H23BrN2O MolecularWeight: 495.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2[C@@H](CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H23BrN2O/c1-20-11-13-23(14-12-20)29(33)32-27-10-6-5-9-25(27)31-26(21-15-17-24(30)18-16-21)19-28(32)22-7-3-2-4-8-22/h2-18,28H,19H2,1H3/t28-/m0/s1