1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(pyridin-2-yl)methyl]urea

Systemtic Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(pyridin-2-yl)methyl]urea Openeye Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(2-pyridyl)methyl]urea CAS Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(2-pyridinyl)methyl]urea IUPAC Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(pyridin-2-yl)methyl]urea Traditional Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-[phenyl(2-pyridyl)methyl]urea Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)NC(C2=CC=CC=C2)C3=CC=CC=N3)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)NC(C2=CC=CC=C2)C3=CC=CC=N3)OCCC

InChI

InChI=1S/C27H33N3O3/c1-4-17-32-24-15-14-22(19-25(24)33-18-5-2)20(3)29-27(31)30-26(21-11-7-6-8-12-21)23-13-9-10-16-28-23/h6-16,19-20,26H,4-5,17-18H2,1-3H3,(H2,29,30,31)