3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3-cyanophenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3-cyanophenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H30N4O/c1-3-4-7-15-30(26(31)28-24-13-8-11-22(17-24)18-27)20-25-14-9-16-29(25)19-23-12-6-5-10-21(23)2/h5-6,8-14,16-17H,3-4,7,15,19-20H2,1-2H3,(H,28,31)