4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-(7-ethyl-2-p-phenetyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]-dimethyl-amine Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N4O/c1-5-18-7-16-24-23(17-18)25(19-8-12-21(13-9-19)30(3)4)28-29-26(27-24)20-10-14-22(15-11-20)31-6-2/h7-17,28H,5-6H2,1-4H3