5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2,6-bis(chloranyl)phenyl]-N-[4-(diethylamino)cyclohexyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2,6-bis(chloranyl)phenyl]-N-[4-(diethylamino)cyclohexyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,6-dichlorophenyl)-N-[4-(diethylamino)cyclohexyl]isoxazole-4-carboxamide CAS Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,6-dichlorophenyl)-N-[4-(diethylamino)cyclohexyl]-4-isoxazolecarboxamide IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,6-dichlorophenyl)-N-[4-(diethylamino)cyclohexyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2,6-dichlorophenyl)-N-[4-(diethylamino)cyclohexyl]-5-homopiperonyl-isoxazole-4-carboxamide Formula: C29H33Cl2N3O4 MolecularWeight: 558.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCC(CC1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(CC)C1CCC(CC1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H33Cl2N3O4/c1-3-34(4-2)20-12-10-19(11-13-20)32-29(35)27-24(15-9-18-8-14-23-25(16-18)37-17-36-23)38-33-28(27)26-21(30)6-5-7-22(26)31/h5-8,14,16,19-20H,3-4,9-13,15,17H2,1-2H3,(H,32,35)