tert-butyl 2-[[(E)-[(2-azanyl-5-bromanyl-phenyl)-phenyl-methylidene]amino]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[(E)-[(2-azanyl-5-bromanyl-phenyl)-phenyl-methylidene]amino]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[(E)-[(2-amino-5-bromo-phenyl)-phenyl-methylene]amino]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2E)-2-[(2-amino-5-bromophenyl)-phenylmethylidene]hydrazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(E)-[(2-amino-5-bromophenyl)-phenylmethylidene]amino]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(E)-[(2-amino-5-bromo-phenyl)-phenyl-methylene]amino]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N/N=C(\C2=CC=CC=C2)/C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C23H27BrN4O3/c1-23(2,3)31-22(30)28-13-7-10-19(28)21(29)27-26-20(15-8-5-4-6-9-15)17-14-16(24)11-12-18(17)25/h4-6,8-9,11-12,14,19H,7,10,13,25H2,1-3H3,(H,27,29)/b26-20+