2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-benzyl-4-piperidyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(1-benzylpiperidin-4-yl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N5O3/c1-18-22(15-28-26(29-18)27-14-20-7-8-23-24(13-20)34-17-33-23)25(32)30-21-9-11-31(12-10-21)16-19-5-3-2-4-6-19/h2-8,13,15,21H,9-12,14,16-17H2,1H3,(H,30,32)(H,27,28,29)