1-[[4,5-dimethyl-1-(phenylmethyl)-2-pyrrol-1-yl-pyrrol-3-yl]methyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[[4,5-dimethyl-1-(phenylmethyl)-2-pyrrol-1-yl-pyrrol-3-yl]methyl]-3-(4-methylphenyl)urea Openeye Name: 1-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-yl-pyrrol-3-yl)methyl]-3-(p-tolyl)urea CAS Name: 1-[[4,5-dimethyl-1-(phenylmethyl)-2-(1-pyrrolyl)-3-pyrrolyl]methyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]-3-(4-methylphenyl)urea Traditional Name: 1-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-yl-pyrrol-3-yl)methyl]-3-(p-tolyl)urea Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=C(N(C(=C2C)C)CC3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=C(N(C(=C2C)C)CC3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H28N4O/c1-19-11-13-23(14-12-19)28-26(31)27-17-24-20(2)21(3)30(18-22-9-5-4-6-10-22)25(24)29-15-7-8-16-29/h4-16H,17-18H2,1-3H3,(H2,27,28,31)