4-(1H-indol-3-ylmethyl)-6-[2-oxidanylidene-2-[2-(phenylmethyl)piperidin-1-yl]ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one

Systemtic Name: 4-(1H-indol-3-ylmethyl)-6-[2-oxidanylidene-2-[2-(phenylmethyl)piperidin-1-yl]ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one Openeye Name: 6-[2-(2-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one CAS Name: 4-(1H-indol-3-ylmethyl)-6-[2-oxo-2-[2-(phenylmethyl)-1-piperidinyl]ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one IUPAC Name: 6-[2-(2-benzylpiperidin-1-yl)-2-oxoethyl]-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one Traditional Name: 6-[2-(2-benzylpiperidino)-2-keto-ethyl]-4-(1H-indol-3-ylmethyl)-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one Formula: C39H36N6O2 MolecularWeight: 620.74214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N5C(=NN=C5C6=CC=CC=C6)C(C3=O)CC7=CNC8=CC=CC=C87

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N5C(=NN=C5C6=CC=CC=C6)C(C3=O)CC7=CNC8=CC=CC=C87

InChI

InChI=1S/C39H36N6O2/c46-36(43-22-12-11-17-30(43)23-27-13-3-1-4-14-27)26-44-34-20-9-10-21-35(34)45-37(28-15-5-2-6-16-28)41-42-38(45)32(39(44)47)24-29-25-40-33-19-8-7-18-31(29)33/h1-10,13-16,18-21,25,30,32,40H,11-12,17,22-24,26H2