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

Systemtic Name: 4-[2-(4-tert-butylphenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-tert-butylphenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-tert-butylphenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-tert-butylphenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[2-(4-tert-butylphenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C28H32N4O MolecularWeight: 440.57988

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N4O/c1-7-33-23-16-17-25-24(18-23)26(19-10-14-22(15-11-19)32(5)6)30-31-27(29-25)20-8-12-21(13-9-20)28(2,3)4/h8-18,30H,7H2,1-6H3