7-(2,6-dimethylphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,2,4-benzotriazin-3-amine

Systemtic Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,2,4-benzotriazin-3-amine Openeye Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,2,4-benzotriazin-3-amine CAS Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-1,2,4-benzotriazin-3-amine IUPAC Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,2,4-benzotriazin-3-amine Traditional Name: [7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]-[4-(3-pyrrolidinopropoxy)phenyl]amine Formula: C29H33N5O MolecularWeight: 467.60522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC=C(C=C4)OCCCN5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC=C(C=C4)OCCCN5CCCC5)C

InChI

InChI=1S/C29H33N5O/c1-20-8-6-9-21(2)27(20)23-18-22(3)28-26(19-23)32-33-29(31-28)30-24-10-12-25(13-11-24)35-17-7-16-34-14-4-5-15-34/h6,8-13,18-19H,4-5,7,14-17H2,1-3H3,(H,30,31,33)