1-(3-diphenoxyphosphoryl-2-oxidanylidene-propyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-dione

Systemtic Name: 1-(3-diphenoxyphosphoryl-2-oxidanylidene-propyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-dione Openeye Name: 1-(3-diphenoxyphosphoryl-2-oxo-propyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-dione CAS Name: 1-(3-diphenoxyphosphoryl-2-oxopropyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-dione IUPAC Name: 1-(3-diphenoxyphosphoryl-2-oxopropyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-dione Traditional Name: 1-(3-diphenoxyphosphoryl-2-keto-propyl)-6-(2H-indazol-3-ylmethyl)-4-phenyl-1,4-diazepine-5,7-quinone Formula: C34H29N4O6P MolecularWeight: 620.591021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CN(C(=O)C(C2=O)CC3=C4C=CC=CC4=NN3)CC(=O)CP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C=CN(C(=O)C(C2=O)CC3=C4C=CC=CC4=NN3)CC(=O)CP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C34H29N4O6P/c39-26(24-45(42,43-27-14-6-2-7-15-27)44-28-16-8-3-9-17-28)23-37-20-21-38(25-12-4-1-5-13-25)34(41)30(33(37)40)22-32-29-18-10-11-19-31(29)35-36-32/h1-21,30H,22-24H2,(H,35,36)