1-[(2S)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)urea

Systemtic Name: 1-[(2S)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)urea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-[(1S)-1-methylpropyl]urea CAS Name: 1-[(2S)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(2,6-dimethylphenyl)urea IUPAC Name: 1-[(2S)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-[(1S)-1-methylpropyl]urea Formula: C25H30ClN3O MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H30ClN3O/c1-5-20(4)29(25(30)27-24-18(2)10-8-11-19(24)3)17-22-13-9-15-28(22)16-21-12-6-7-14-23(21)26/h6-15,20H,5,16-17H2,1-4H3,(H,27,30)/t20-/m0/s1