1-(3,4-dimethoxyphenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethoxyphenyl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethoxyphenyl)urea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3,4-dimethoxyphenyl)urea Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O3/c1-26-19-11-10-17(13-20(19)27-2)23-21(25)22-14-18-9-6-12-24(18)15-16-7-4-3-5-8-16/h3-13H,14-15H2,1-2H3,(H2,22,23,25)