2-[2,4-bis(oxidanylidene)-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2,4-bis(oxidanylidene)-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[2,4-dioxo-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[2,4-dioxo-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[2,4-dioxo-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide Traditional Name: 2-[2,4-diketo-5-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide Formula: C34H32N6O4 MolecularWeight: 588.65568

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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=C5C=CC=NC5=NN4)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=C5C=CC=NC5=NN4)C6=CC=CC=C6

InChI

InChI=1S/C34H32N6O4/c1-22(2)39(24-15-17-25(44-3)18-16-24)31(41)21-38-29-13-7-8-14-30(29)40(23-10-5-4-6-11-23)34(43)27(33(38)42)20-28-26-12-9-19-35-32(26)37-36-28/h4-19,22,27H,20-21H2,1-3H3,(H,35,36,37)