4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline IUPAC Name: 4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline Traditional Name: [4-[4-(4-tert-butylphenyl)-8-methoxy-1H-1,3,5-benzotriazepin-2-yl]phenyl]-dimethyl-amine Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C27H30N4O/c1-27(2,3)20-11-7-18(8-12-20)25-28-23-16-15-22(32-6)17-24(23)29-26(30-25)19-9-13-21(14-10-19)31(4)5/h7-17H,1-6H3,(H,28,29,30)