N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide

Systemtic Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide Openeye Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide CAS Name: N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide IUPAC Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide Traditional Name: N-[3-[4-(2,5-dimethylphenyl)piperazino]propyl]-2-phenethyl-1,3-benzoxazole-6-carboxamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)N=C(O4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)C3=CC4=C(C=C3)N=C(O4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c1-23-9-10-24(2)28(21-23)35-19-17-34(18-20-35)16-6-15-32-31(36)26-12-13-27-29(22-26)37-30(33-27)14-11-25-7-4-3-5-8-25/h3-5,7-10,12-13,21-22H,6,11,14-20H2,1-2H3,(H,32,36)