N-[(E)-C-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-N-phenylazanyl-carbonimidoyl]iminobenzamide

Systemtic Name: N-[(E)-C-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]-N-phenylazanyl-carbonimidoyl]iminobenzamide Openeye Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]carbonimidoyl]iminobenzamide CAS Name: N-[(E)-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-(phenylhydrazinylidene)methyl]iminobenzamide IUPAC Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]carbonimidoyl]iminobenzamide Traditional Name: N-[(E)-N-anilino-C-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]carbonimidoyl]iminobenzamide Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC2=CC=CC=C2)N=NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)/C(=N\NC2=CC=CC=C2)/N=NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H25N7O/c1-21-20-24(34(18-8-16-28)19-9-17-29)14-15-25(21)26(31-30-23-12-6-3-7-13-23)32-33-27(35)22-10-4-2-5-11-22/h2-7,10-15,20,30H,8-9,18-19H2,1H3/b31-26+,33-32?