3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-pyrrolidin-3-yl-benzamide

Systemtic Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-pyrrolidin-3-yl-benzamide Openeye Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-pyrrolidin-3-yl-benzamide CAS Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(3-pyrrolidinyl)benzamide IUPAC Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-pyrrolidin-3-ylbenzamide Traditional Name: 3-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-pyrrolidin-3-yl-benzamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC=CC(=C4)C(=O)NC5CCNC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC=CC(=C4)C(=O)NC5CCNC5)C

InChI

InChI=1S/C27H28N6O/c1-16-6-4-7-17(2)24(16)20-12-18(3)25-23(14-20)32-33-27(31-25)30-21-9-5-8-19(13-21)26(34)29-22-10-11-28-15-22/h4-9,12-14,22,28H,10-11,15H2,1-3H3,(H,29,34)(H,30,31,33)