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

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-1-pentyl-urea Openeye Name: 1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)-1-pentyl-urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(1-naphthalenyl)-1-pentylurea IUPAC Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)urea Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H33N3O/c1-3-4-7-18-32(29(33)30-28-17-9-14-25-13-5-6-16-27(25)28)22-26-15-10-19-31(26)21-24-12-8-11-23(2)20-24/h5-6,8-17,19-20H,3-4,7,18,21-22H2,1-2H3,(H,30,33)