4-phenethyl-N-[6-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3-benzodioxol-5-yl]piperazine-1-carboxamide

Systemtic Name: 4-phenethyl-N-[6-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3-benzodioxol-5-yl]piperazine-1-carboxamide Openeye Name: N-[6-[(4-benzyl-1-piperidyl)methyl]-1,3-benzodioxol-5-yl]-4-phenethyl-piperazine-1-carboxamide CAS Name: 4-phenethyl-N-[6-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1,3-benzodioxol-5-yl]-1-piperazinecarboxamide IUPAC Name: N-[6-[(4-benzylpiperidin-1-yl)methyl]-1,3-benzodioxol-5-yl]-4-phenethylpiperazine-1-carboxamide Traditional Name: N-[6-[(4-benzylpiperidino)methyl]-1,3-benzodioxol-5-yl]-4-phenethyl-piperazine-1-carboxamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=CC4=C(C=C3NC(=O)N5CCN(CC5)CCC6=CC=CC=C6)OCO4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=CC4=C(C=C3NC(=O)N5CCN(CC5)CCC6=CC=CC=C6)OCO4

InChI

InChI=1S/C33H40N4O3/c38-33(37-19-17-35(18-20-37)14-11-26-7-3-1-4-8-26)34-30-23-32-31(39-25-40-32)22-29(30)24-36-15-12-28(13-16-36)21-27-9-5-2-6-10-27/h1-10,22-23,28H,11-21,24-25H2,(H,34,38)