[2-oxidanylidene-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [2-oxidanylidene-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [1-[2-(benzylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [2-oxo-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [1-[2-(benzylamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [1-[2-(benzylamino)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4/c30-21(26-15-17-9-3-1-4-10-17)16-29-20-14-8-7-13-19(20)22(18-11-5-2-6-12-18)27-23(24(29)31)28-25(32)33/h1-14,23,28H,15-16H2,(H,26,30)(H,32,33)