1-[1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Openeye Name: 1-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-(4-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone IUPAC Name: 1-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Traditional Name: 1-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-(4-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC(=O)N1CC2=C(C=CC(=C2)C3=CC=NC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H27N5O/c1-20(33)32-16-24-14-23(22-9-11-28-12-10-22)7-8-27(24)31(17-25-15-29-19-30-25)18-26(32)13-21-5-3-2-4-6-21/h2-12,14-15,19,26H,13,16-18H2,1H3,(H,29,30)