tert-butyl 3-[[1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[2-(N-isopropyl-4-methoxy-anilino)-2-oxo-ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate CAS Name: 3-[[1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]-1-pyrazolo[3,4-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylate Traditional Name: 3-[[1-[2-(N-isopropyl-4-methoxy-anilino)-2-keto-ethyl]-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]pyrazolo[3,4-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C39H40N6O6 MolecularWeight: 688.7715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NN(C5=C4C=CC=N5)C(=O)OC(C)(C)C)C6=CC=CC=C6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NN(C5=C4C=CC=N5)C(=O)OC(C)(C)C)C6=CC=CC=C6

InChI

InChI=1S/C39H40N6O6/c1-25(2)43(27-18-20-28(50-6)21-19-27)34(46)24-42-32-16-10-11-17-33(32)44(26-13-8-7-9-14-26)37(48)30(36(42)47)23-31-29-15-12-22-40-35(29)45(41-31)38(49)51-39(3,4)5/h7-22,25,30H,23-24H2,1-6H3