3-(4-ethylphenyl)-1-(2-methylpropyl)-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(4-ethylphenyl)-1-(2-methylpropyl)-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-ethylphenyl)-1-isobutyl-urea CAS Name: 3-(4-ethylphenyl)-1-(2-methylpropyl)-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-ethylphenyl)-1-(2-methylpropyl)urea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-ethylphenyl)-1-isobutyl-urea Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C25H31N3O/c1-4-21-12-14-23(15-13-21)26-25(29)28(17-20(2)3)19-24-11-8-16-27(24)18-22-9-6-5-7-10-22/h5-16,20H,4,17-19H2,1-3H3,(H,26,29)