4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-5H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-morpholin-4-ylsulfonyl-3-(phenylmethyl)-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-morpholinosulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(4-morpholinylsulfonyl)-3-(phenylmethyl)-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-morpholin-4-ylsulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-morpholinosulfonyl-1-[(1-tritylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine-7-carbonitrile Formula: C44H40N6O3S MolecularWeight: 732.8918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN(C=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1COCCN1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN(C=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H40N6O3S/c45-29-36-21-22-43-37(27-36)30-50(54(51,52)49-23-25-53-26-24-49)42(28-35-13-5-1-6-14-35)33-47(43)31-41-32-48(34-46-41)44(38-15-7-2-8-16-38,39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-22,27,32-34H,23-26,28,30-31H2