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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(C3=CC=CC=C3C2)CC4=CN=CN4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(C3=CC=CC=C3C2)CC4=CN=CN4)OC

InChI

InChI=1S/C24H28N4O3/c1-30-22-9-7-18(13-23(22)31-2)8-10-24(29)28-12-11-27(16-20-14-25-17-26-20)21-6-4-3-5-19(21)15-28/h3-7,9,13-14,17H,8,10-12,15-16H2,1-2H3,(H,25,26)