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

Systemtic Name: 4-[7-chloranyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-chloro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-chloro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-chloro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-chloro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C23H21ClN4O/c1-28(2)18-9-4-15(5-10-18)22-20-14-17(24)8-13-21(20)25-23(27-26-22)16-6-11-19(29-3)12-7-16/h4-14,26H,1-3H3