(E)-7-(benzotriazol-1-yl)-7-[bis(phenylmethyl)amino]hept-2-enenitrile

Systemtic Name: (E)-7-(benzotriazol-1-yl)-7-[bis(phenylmethyl)amino]hept-2-enenitrile Openeye Name: (E)-7-(benzotriazol-1-yl)-7-(dibenzylamino)hept-2-enenitrile CAS Name: (E)-7-(1-benzotriazolyl)-7-[bis(phenylmethyl)amino]-2-heptenenitrile IUPAC Name: (E)-7-(benzotriazol-1-yl)-7-(dibenzylamino)hept-2-enenitrile Traditional Name: (E)-7-(benzotriazol-1-yl)-7-(dibenzylamino)hept-2-enenitrile Formula: C27H27N5 MolecularWeight: 421.53678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCCC=CC#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCC/C=C/C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C27H27N5/c28-20-12-2-1-9-19-27(32-26-18-11-10-17-25(26)29-30-32)31(21-23-13-5-3-6-14-23)22-24-15-7-4-8-16-24/h2-8,10-18,27H,1,9,19,21-22H2/b12-2+