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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-[4-(4-morpholinyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)cyclohexanecarboxamide Formula: C31H35N7O3 MolecularWeight: 553.6547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)N3CCOCC3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H35N7O3/c39-29(23-38-28-9-3-2-8-27(28)34-35-38)37(22-24-7-6-16-32-21-24)31(14-4-1-5-15-31)30(40)33-25-10-12-26(13-11-25)36-17-19-41-20-18-36/h2-3,6-13,16,21H,1,4-5,14-15,17-20,22-23H2,(H,33,40)