[[4-[(E)-diazanylidenemethyl]phenyl]carbonylamino] 2-(3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: [[4-[(E)-diazanylidenemethyl]phenyl]carbonylamino] 2-(3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: [[4-[(E)-hydrazinylidenemethyl]benzoyl]amino] 2-(3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl)acetic acid [[[4-[(E)-hydrazinylidenemethyl]phenyl]-oxomethyl]amino] ester IUPAC Name: [[4-[(E)-hydrazinylidenemethyl]benzoyl]amino] 2-(3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-4-phenethyl-5H-1,4-benzodiazepin-2-yl)acetic acid [[4-[(E)-hydrazonomethyl]benzoyl]amino] ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(C(=O)N1CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)C=NN

Isomeric SMILES

C1C2=CC=CC=C2N=C(C(=O)N1CCC3=CC=CC=C3)CC(=O)ONC(=O)C4=CC=C(C=C4)/C=N/N

InChI

InChI=1S/C27H25N5O4/c28-29-17-20-10-12-21(13-11-20)26(34)31-36-25(33)16-24-27(35)32(15-14-19-6-2-1-3-7-19)18-22-8-4-5-9-23(22)30-24/h1-13,17H,14-16,18,28H2,(H,31,34)/b29-17+