hex-5-yn-3-yl N-[1-[3-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate

Systemtic Name: hex-5-yn-3-yl N-[1-[3-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate Openeye Name: 1-ethylbut-3-ynyl N-[1-[3-[(3-chloro-4-cyano-phenyl)carbamoylamino]phenyl]ethyl]carbamate CAS Name: N-[1-[3-[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]phenyl]ethyl]carbamic acid hex-5-yn-3-yl ester IUPAC Name: hex-5-yn-3-yl N-[1-[3-[(3-chloro-4-cyanophenyl)carbamoylamino]phenyl]ethyl]carbamate Traditional Name: N-[1-[3-[(3-chloro-4-cyano-phenyl)carbamoylamino]phenyl]ethyl]carbamic acid 1-ethylbut-3-ynyl ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#C)OC(=O)NC(C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCC(CC#C)OC(=O)NC(C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-4-7-20(5-2)31-23(30)26-15(3)16-8-6-9-18(12-16)27-22(29)28-19-11-10-17(14-25)21(24)13-19/h1,6,8-13,15,20H,5,7H2,2-3H3,(H,26,30)(H2,27,28,29)