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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-(4-methoxyphenyl)-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3/c1-37-24-16-14-23(15-17-24)30-28(36)29(18-8-3-9-19-29)33(20-22-10-4-2-5-11-22)27(35)21-34-26-13-7-6-12-25(26)31-32-34/h2,4-7,10-17H,3,8-9,18-21H2,1H3,(H,30,36)