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

Systemtic Name: 4-[2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[2-(4-tert-butylphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C27H30N4 MolecularWeight: 410.5539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H30N4/c1-18-7-16-24-23(17-18)25(19-10-14-22(15-11-19)31(5)6)29-30-26(28-24)20-8-12-21(13-9-20)27(2,3)4/h7-17,29H,1-6H3