1-[(3S)-1-(1,3-diphenylpropan-2-yl)piperidin-3-yl]-3-(2-methylquinolin-4-yl)urea

Systemtic Name: 1-[(3S)-1-(1,3-diphenylpropan-2-yl)piperidin-3-yl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[(3S)-1-(1-benzyl-2-phenyl-ethyl)-3-piperidyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[(3S)-1-(1,3-diphenylpropan-2-yl)-3-piperidinyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[(3S)-1-(1,3-diphenylpropan-2-yl)piperidin-3-yl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[(3S)-1-(1-benzyl-2-phenyl-ethyl)-3-piperidyl]-3-(2-methyl-4-quinolyl)urea Formula: C31H34N4O MolecularWeight: 478.62786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3CCCN(C3)C(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)N[C@H]3CCCN(C3)C(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O/c1-23-19-30(28-16-8-9-17-29(28)32-23)34-31(36)33-26-15-10-18-35(22-26)27(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-9,11-14,16-17,19,26-27H,10,15,18,20-22H2,1H3,(H2,32,33,34,36)/t26-/m0/s1