1-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)cyclohexane-1-carboxamide

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-dimethylaminophenyl)-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-dimethylaminophenyl)cyclohexane-1-carboxamide Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-dimethylaminophenyl)cyclohexanecarboxamide Formula: C29H33N7O2 MolecularWeight: 511.61802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H33N7O2/c1-34(2)24-14-12-23(13-15-24)31-28(38)29(16-6-3-7-17-29)35(20-22-9-8-18-30-19-22)27(37)21-36-26-11-5-4-10-25(26)32-33-36/h4-5,8-15,18-19H,3,6-7,16-17,20-21H2,1-2H3,(H,31,38)