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

Systemtic Name: 4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-piperazin-1-yl-benzamide Openeye Name: 4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-piperazin-1-yl-benzamide CAS Name: 4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(1-piperazinyl)benzamide IUPAC Name: 4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-piperazin-1-ylbenzamide Traditional Name: 4-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-piperazino-benzamide Formula: C27H29N7O MolecularWeight: 467.56546

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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=C(C=C4)C(=O)NN5CCNCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC=C(C=C4)C(=O)NN5CCNCC5)C

InChI

InChI=1S/C27H29N7O/c1-17-5-4-6-18(2)24(17)21-15-19(3)25-23(16-21)31-32-27(30-25)29-22-9-7-20(8-10-22)26(35)33-34-13-11-28-12-14-34/h4-10,15-16,28H,11-14H2,1-3H3,(H,33,35)(H,29,30,32)