N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidine-3-carboxamide Traditional Name: 1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-piperonyl-nipecotamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N6O3/c1-15-9-20(26-22(25-15)28-8-6-23-13-28)27-7-2-3-17(12-27)21(29)24-11-16-4-5-18-19(10-16)31-14-30-18/h4-6,8-10,13,17H,2-3,7,11-12,14H2,1H3,(H,24,29)