N'-[[4-[bis(2-cyanoethyl)amino]-3-iodanyl-phenyl]methylideneamino]-N-phenyl-propanediamide

Systemtic Name: N'-[[4-[bis(2-cyanoethyl)amino]-3-iodanyl-phenyl]methylideneamino]-N-phenyl-propanediamide Openeye Name: N'-[[4-[bis(2-cyanoethyl)amino]-3-iodo-phenyl]methyleneamino]-N-phenyl-propanediamide CAS Name: N'-[[4-[bis(2-cyanoethyl)amino]-3-iodophenyl]methylideneamino]-N-phenylpropanediamide IUPAC Name: N'-[[4-[bis(2-cyanoethyl)amino]-3-iodophenyl]methylideneamino]-N-phenylpropanediamide Traditional Name: N'-[[4-[bis(2-cyanoethyl)amino]-3-iodo-benzylidene]amino]-N-phenyl-malonamide Formula: C22H21IN6O2 MolecularWeight: 528.34561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C=C2)N(CCC#N)CCC#N)I

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C=C2)N(CCC#N)CCC#N)I

InChI

InChI=1S/C22H21IN6O2/c23-19-14-17(8-9-20(19)29(12-4-10-24)13-5-11-25)16-26-28-22(31)15-21(30)27-18-6-2-1-3-7-18/h1-3,6-9,14,16H,4-5,12-13,15H2,(H,27,30)(H,28,31)