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

Systemtic Name: 1-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-yl-urea Openeye Name: 1-butyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)urea CAS Name: 1-butyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(1-naphthalenyl)urea IUPAC Name: 1-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-naphthalen-1-ylurea Traditional Name: 1-butyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-(1-naphthyl)urea Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O/c1-3-4-17-31(28(32)29-27-16-8-13-24-12-5-6-15-26(24)27)21-25-14-9-18-30(25)20-23-11-7-10-22(2)19-23/h5-16,18-19H,3-4,17,20-21H2,1-2H3,(H,29,32)