N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-N-piperonyl-propionamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H31N5O3/c1-15(2)22-25-16(3)11-21(26-22)28-9-7-27(8-10-28)17(4)23(29)24-13-18-5-6-19-20(12-18)31-14-30-19/h5-6,11-12,15,17H,7-10,13-14H2,1-4H3,(H,24,29)