N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-2-phenyl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-2-phenyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(cyanoamino)-(o-toluidino)methyl]-2-phenyl-piperazine-1-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1NC(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N6O3/c1-19-7-5-6-10-22(19)31-26(29-17-28)32-13-14-33(23(16-32)20-8-3-2-4-9-20)27(34)30-21-11-12-24-25(15-21)36-18-35-24/h2-12,15,23,26,29,31H,13-14,16,18H2,1H3,(H,30,34)