4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline IUPAC Name: 4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethylaniline Traditional Name: [4-[8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]-dimethyl-amine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)OC

InChI

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