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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H30N6O3/c1-37-23-13-11-22(12-14-23)30-27(36)28(15-5-2-6-16-28)33(19-21-8-7-17-29-18-21)26(35)20-34-25-10-4-3-9-24(25)31-32-34/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3,(H,30,36)