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

Systemtic Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentyl-urea Openeye Name: 3-(4-nitrophenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(4-nitrophenyl)-1-pentylurea IUPAC Name: 1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(2-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=C2C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O3/c1-3-4-7-16-28(25(30)26-22-12-14-23(15-13-22)29(31)32)19-24-11-8-17-27(24)18-21-10-6-5-9-20(21)2/h5-6,8-15,17H,3-4,7,16,18-19H2,1-2H3,(H,26,30)