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

Systemtic Name: 3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3-cyanophenyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3-cyanophenyl)-1-[[1-(3-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(=C2)C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-3-4-5-14-30(26(31)28-24-12-7-10-22(17-24)18-27)20-25-13-8-15-29(25)19-23-11-6-9-21(2)16-23/h6-13,15-17H,3-5,14,19-20H2,1-2H3,(H,28,31)