2-[2-oxidanylidene-5-phenyl-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-5-phenyl-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-5-phenyl-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-5-phenyl-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-5-phenyl-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-5-phenyl-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C25H17N7O3 MolecularWeight: 463.44758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NNN=N4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NNN=N4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H17N7O3/c33-23-16-10-4-5-11-17(16)24(34)32(23)22-25(35)31(14-20-27-29-30-28-20)19-13-7-6-12-18(19)21(26-22)15-8-2-1-3-9-15/h1-13,22H,14H2,(H,27,28,29,30)