2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N5O4/c1-39-27-18-17-23(19-28(27)40-2)30(31(38)32-24-13-7-4-8-14-24)35(20-22-11-5-3-6-12-22)29(37)21-36-26-16-10-9-15-25(26)33-34-36/h3,5-6,9-12,15-19,24,30H,4,7-8,13-14,20-21H2,1-2H3,(H,32,38)