(phenylmethyl) 2-[[4-bromanyl-2-[[(2-diazanyl-2-oxidanylidene-ethyl)amino]-phenyl-methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-bromanyl-2-[[(2-diazanyl-2-oxidanylidene-ethyl)amino]-phenyl-methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[4-bromo-2-[[(2-hydrazino-2-oxo-ethyl)amino]-phenyl-methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-bromo-2-[[(2-hydrazino-2-keto-ethyl)amino]-phenyl-methyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H30BrN5O4 MolecularWeight: 580.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(C4=CC=CC=C4)NCC(=O)NN

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(C4=CC=CC=C4)NCC(=O)NN

InChI

InChI=1S/C28H30BrN5O4/c29-21-13-14-23(22(16-21)26(31-17-25(35)33-30)20-10-5-2-6-11-20)32-27(36)24-12-7-15-34(24)28(37)38-18-19-8-3-1-4-9-19/h1-6,8-11,13-14,16,24,26,31H,7,12,15,17-18,30H2,(H,32,36)(H,33,35)