N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-N-phenethyl-piperonylamide Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H29N3O3/c30-19-23-7-4-8-24(17-23)20-31-14-12-26(13-15-31)32(16-11-22-5-2-1-3-6-22)29(33)25-9-10-27-28(18-25)35-21-34-27/h1-10,17-18,26H,11-16,20-21H2