1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-isopropylphenyl)-1-pentyl-urea CAS Name: 1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-pentyl-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-p-cumenyl-urea Formula: C27H35N3O MolecularWeight: 417.5863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H35N3O/c1-4-5-9-18-30(27(31)28-25-16-14-24(15-17-25)22(2)3)21-26-13-10-19-29(26)20-23-11-7-6-8-12-23/h6-8,10-17,19,22H,4-5,9,18,20-21H2,1-3H3,(H,28,31)