N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC(C3=CSC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26ClN3O2S/c1-16-21(22(26-29-16)18-8-4-5-9-19(18)24)23(28)25-14-20(17-10-13-30-15-17)27-11-6-2-3-7-12-27/h4-5,8-10,13,15,20H,2-3,6-7,11-12,14H2,1H3,(H,25,28)