(E)-N-[4-[2-(4-chlorophenyl)ethyl-methyl-amino]butyl]-4-[4-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]but-3-enamide

Systemtic Name: (E)-N-[4-[2-(4-chlorophenyl)ethyl-methyl-amino]butyl]-4-[4-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]but-3-enamide Openeye Name: (E)-N-[4-[2-(4-chlorophenyl)ethyl-methyl-amino]butyl]-4-[4-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]but-3-enamide CAS Name: (E)-N-[4-[2-(4-chlorophenyl)ethyl-methylamino]butyl]-4-[4-[[(cyanoamino)-methyliminomethyl]amino]phenyl]-3-butenamide IUPAC Name: (E)-N-[4-[2-(4-chlorophenyl)ethyl-methylamino]butyl]-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]but-3-enamide Traditional Name: (E)-N-[4-[2-(4-chlorophenyl)ethyl-methyl-amino]butyl]-4-[4-[(N-cyano-N'-methyl-amidino)amino]phenyl]but-3-enamide Formula: C26H33ClN6O MolecularWeight: 481.03282

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)NC1=CC=C(C=C1)C=CCC(=O)NCCCCN(C)CCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN=C(NC#N)NC1=CC=C(C=C1)/C=C/CC(=O)NCCCCN(C)CCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C26H33ClN6O/c1-29-26(31-20-28)32-24-14-10-21(11-15-24)6-5-7-25(34)30-17-3-4-18-33(2)19-16-22-8-12-23(27)13-9-22/h5-6,8-15H,3-4,7,16-19H2,1-2H3,(H,30,34)(H2,29,31,32)/b6-5+