2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H32N6O3/c1-38-24-15-13-22(14-16-24)28(29(37)31-23-9-3-2-4-10-23)34(19-21-8-7-17-30-18-21)27(36)20-35-26-12-6-5-11-25(26)32-33-35/h5-8,11-18,23,28H,2-4,9-10,19-20H2,1H3,(H,31,37)