tert-butyl 3-[[1-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylate Openeye Name: tert-butyl 3-[[1-[2-(4-fluoro-N-isopropyl-anilino)-2-oxo-ethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylate CAS Name: 3-[[1-[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylate Traditional Name: 3-[[1-[2-(4-fluoro-N-isopropyl-anilino)-2-keto-ethyl]-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]methyl]indazole-1-carboxylic acid tert-butyl ester Formula: C39H38FN5O5 MolecularWeight: 675.747923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)F)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C6=CC=CC=C6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)F)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=NN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C6=CC=CC=C6

InChI

InChI=1S/C39H38FN5O5/c1-25(2)43(28-21-19-26(40)20-22-28)35(46)24-42-33-17-11-12-18-34(33)44(27-13-7-6-8-14-27)37(48)30(36(42)47)23-31-29-15-9-10-16-32(29)45(41-31)38(49)50-39(3,4)5/h6-22,25,30H,23-24H2,1-5H3