[2-azanyl-6-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [2-azanyl-6-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [2-amino-6-[(4-benzyloxyphenyl)methyl]-4-(4-piperidyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [2-amino-6-[(4-phenylmethoxyphenyl)methyl]-4-(4-piperidinyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [2-amino-6-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-4-yl-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [2-amino-6-(4-benzoxybenzyl)-4-(4-piperidyl)-4H-pyrimidin-3-yl]-(1,3-benzodioxol-5-yl)methanone Formula: C31H32N4O4 MolecularWeight: 524.61018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2C=C(N=C(N2C(=O)C3=CC4=C(C=C3)OCO4)N)CC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CNCCC1C2C=C(N=C(N2C(=O)C3=CC4=C(C=C3)OCO4)N)CC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H32N4O4/c32-31-34-25(16-21-6-9-26(10-7-21)37-19-22-4-2-1-3-5-22)18-27(23-12-14-33-15-13-23)35(31)30(36)24-8-11-28-29(17-24)39-20-38-28/h1-11,17-18,23,27,33H,12-16,19-20H2,(H2,32,34)