2-[5-cyclohexyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-cyclohexyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-cyclohexyl-2-oxo-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-cyclohexyl-2-oxo-1-(2-pyridinylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[5-cyclohexyl-2-oxo-1-(pyridin-2-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-cyclohexyl-2-keto-1-(2-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=N4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=N4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H26N4O3/c34-27-21-13-4-5-14-22(21)28(35)33(27)26-29(36)32(18-20-12-8-9-17-30-20)24-16-7-6-15-23(24)25(31-26)19-10-2-1-3-11-19/h4-9,12-17,19,26H,1-3,10-11,18H2