1,3-benzodioxol-5-yl-[(3S)-3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-3-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-3-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-3-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]methanone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c1-17-26-14-21(12-18-6-3-2-4-7-18)24(27-17)20-8-5-11-28(15-20)25(29)19-9-10-22-23(13-19)31-16-30-22/h2-4,6-7,9-10,13-14,20H,5,8,11-12,15-16H2,1H3/t20-/m0/s1