1-[3-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]propyl]urea

Systemtic Name: 1-[3-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]propyl]urea Openeye Name: 3-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]propylurea CAS Name: 3-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]propylurea IUPAC Name: 3-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]propylurea Traditional Name: 3-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)piperidino]propylurea Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CCCNC(=O)N)C3=C(C=CC=N3)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CCCNC(=O)N)C3=C(C=CC=N3)C

InChI

InChI=1S/C21H29N5O/c1-15-7-4-11-23-19(15)17-9-3-10-18(20-16(2)8-5-12-24-20)26(17)14-6-13-25-21(22)27/h4-5,7-8,11-12,17-18H,3,6,9-10,13-14H2,1-2H3,(H3,22,25,27)/t17-,18+