3-(2,6-dimethylphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-[2-(phenylmethylidene)heptyl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-(2-benzylideneheptyl)-3-(2,6-dimethylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-(2,6-dimethylphenyl)-1-[2-(phenylmethylene)heptyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-(2-benzylideneheptyl)-3-(2,6-dimethylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-(2-amyl-3-phenyl-allyl)-3-(2,6-dimethylphenyl)-1-(2-pyrrolidinoethyl)urea Formula: C29H41N3O MolecularWeight: 447.65534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CCN2CCCC2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCC(=CC1=CC=CC=C1)CN(CCN2CCCC2)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C29H41N3O/c1-4-5-7-17-27(22-26-15-8-6-9-16-26)23-32(21-20-31-18-10-11-19-31)29(33)30-28-24(2)13-12-14-25(28)3/h6,8-9,12-16,22H,4-5,7,10-11,17-21,23H2,1-3H3,(H,30,33)