3-(4-methoxyphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyridin-2-ylethyl)urea

Systemtic Name: 3-(4-methoxyphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyridin-2-ylethyl)urea Openeye Name: 1-(2-benzylideneheptyl)-3-(4-methoxyphenyl)-1-[2-(2-pyridyl)ethyl]urea CAS Name: 3-(4-methoxyphenyl)-1-[2-(phenylmethylene)heptyl]-1-[2-(2-pyridinyl)ethyl]urea IUPAC Name: 1-(2-benzylideneheptyl)-3-(4-methoxyphenyl)-1-(2-pyridin-2-ylethyl)urea Traditional Name: 1-(2-amyl-3-phenyl-allyl)-3-(4-methoxyphenyl)-1-[2-(2-pyridyl)ethyl]urea Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCC2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CCC2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C29H35N3O2/c1-3-4-6-13-25(22-24-11-7-5-8-12-24)23-32(21-19-26-14-9-10-20-30-26)29(33)31-27-15-17-28(34-2)18-16-27/h5,7-12,14-18,20,22H,3-4,6,13,19,21,23H2,1-2H3,(H,31,33)