1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentyl-urea

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentyl-urea Openeye Name: 1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentyl-urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(4-nitrophenyl)-1-pentylurea IUPAC Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O3/c1-3-4-5-15-28(25(30)26-22-11-13-23(14-12-22)29(31)32)19-24-10-7-16-27(24)18-21-9-6-8-20(2)17-21/h6-14,16-17H,3-5,15,18-19H2,1-2H3,(H,26,30)