2-[2-oxidanylidene-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-5H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-5H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-5H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C40H29N5O3 MolecularWeight: 627.68996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(=O)C(=N1)N3C(=O)C4=CC=CC=C4C3=O)CC5=CN(C=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1C2=CC=CC=C2N(C(=O)C(=N1)N3C(=O)C4=CC=CC=C4C3=O)CC5=CN(C=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H29N5O3/c46-37-33-21-11-12-22-34(33)38(47)45(37)36-39(48)44(35-23-13-10-14-28(35)24-41-36)26-32-25-43(27-42-32)40(29-15-4-1-5-16-29,30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-23,25,27H,24,26H2