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

Systemtic Name: 4-[7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H26N4O/c1-5-30-21-14-15-23-22(16-21)24(18-10-12-20(13-11-18)29(3)4)27-28-25(26-23)19-8-6-17(2)7-9-19/h6-16,27H,5H2,1-4H3