2-[3-(2H-indazol-3-ylmethyl)-4-oxidanidyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-(2H-indazol-3-ylmethyl)-4-oxidanidyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[3-(2H-indazol-3-ylmethyl)-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-(2H-indazol-3-ylmethyl)-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[3-(2H-indazol-3-ylmethyl)-4-oxido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide Traditional Name: 2-[3-(2H-indazol-3-ylmethyl)-2-keto-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide Formula: C35H33N5O4 MolecularWeight: 587.66762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=[N+](C(C2=O)CC4=C5C=CC=CC5=NN4)[O-])C6=CC=CC=C6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=[N+](C(C2=O)CC4=C5C=CC=CC5=NN4)[O-])C6=CC=CC=C6

InChI

InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-16-10-8-14-28(31)34(24-11-5-4-6-12-24)40(43)32(35(38)42)21-30-27-13-7-9-15-29(27)36-37-30/h4-20,23,32H,21-22H2,1-3H3,(H,36,37)