1-butyl-3-[(2-chloranyl-6-pyrrol-1-yl-phenyl)methyl]urea

Systemtic Name: 1-butyl-3-[(2-chloranyl-6-pyrrol-1-yl-phenyl)methyl]urea Openeye Name: 1-butyl-3-[(2-chloro-6-pyrrol-1-yl-phenyl)methyl]urea CAS Name: 1-butyl-3-[[2-chloro-6-(1-pyrrolyl)phenyl]methyl]urea IUPAC Name: 1-butyl-3-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]urea Traditional Name: 1-butyl-3-(2-chloro-6-pyrrol-1-yl-benzyl)urea Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2

Isomeric SMILES

CCCCNC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2

InChI

InChI=1S/C16H20ClN3O/c1-2-3-9-18-16(21)19-12-13-14(17)7-6-8-15(13)20-10-4-5-11-20/h4-8,10-11H,2-3,9,12H2,1H3,(H2,18,19,21)