1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-methylphenyl)propan-1-one

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-methylphenyl)propan-1-one Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(o-tolyl)propan-1-one CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-methylphenyl)-1-propanone IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-methylphenyl)propan-1-one Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(o-tolyl)propan-1-one Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC1=CC=CC=C1C(C)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C29H30N4O/c1-21-8-6-7-11-27(21)22(2)29(34)33-15-14-32(19-26-17-30-20-31-26)28-13-12-24(16-25(28)18-33)23-9-4-3-5-10-23/h3-13,16-17,20,22H,14-15,18-19H2,1-2H3,(H,30,31)