tert-butyl N-(3-cyanophenyl)-N-[(4-iodophenyl)carbamoyl-propyl-amino]carbamate

Systemtic Name: tert-butyl N-(3-cyanophenyl)-N-[(4-iodophenyl)carbamoyl-propyl-amino]carbamate Openeye Name: tert-butyl N-(3-cyanophenyl)-N-[(4-iodophenyl)carbamoyl-propyl-amino]carbamate CAS Name: N-(3-cyanophenyl)-N-[[(4-iodoanilino)-oxomethyl]-propylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-cyanophenyl)-N-[(4-iodophenyl)carbamoyl-propylamino]carbamate Traditional Name: N-(3-cyanophenyl)-N-[(4-iodophenyl)carbamoyl-propyl-amino]carbamic acid tert-butyl ester Formula: C22H25IN4O3 MolecularWeight: 520.36337

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC1=CC=C(C=C1)I)N(C2=CC=CC(=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(C(=O)NC1=CC=C(C=C1)I)N(C2=CC=CC(=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25IN4O3/c1-5-13-26(20(28)25-18-11-9-17(23)10-12-18)27(21(29)30-22(2,3)4)19-8-6-7-16(14-19)15-24/h6-12,14H,5,13H2,1-4H3,(H,25,28)