1-(anthracen-9-ylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]urea

Systemtic Name: 1-(anthracen-9-ylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]urea Openeye Name: 1-(9-anthrylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methyl-1-piperidyl)propyl]urea CAS Name: 1-(9-anthracenylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methyl-1-piperidinyl)propyl]urea IUPAC Name: 1-(anthracen-9-ylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]urea Traditional Name: 1-(9-anthrylmethyl)-3-(2,6-dimethylphenyl)-1-[3-(2-methylpiperidino)propyl]urea Formula: C33H39N3O MolecularWeight: 493.68226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC5=C(C=CC=C5C)C

Isomeric SMILES

CC1CCCCN1CCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC5=C(C=CC=C5C)C

InChI

InChI=1S/C33H39N3O/c1-24-12-10-13-25(2)32(24)34-33(37)36(21-11-20-35-19-9-8-14-26(35)3)23-31-29-17-6-4-15-27(29)22-28-16-5-7-18-30(28)31/h4-7,10,12-13,15-18,22,26H,8-9,11,14,19-21,23H2,1-3H3,(H,34,37)