1-[3-[(1-butyl-3,5-dipropyl-pyrrol-2-yl)methyl]phenyl]urea

Systemtic Name: 1-[3-[(1-butyl-3,5-dipropyl-pyrrol-2-yl)methyl]phenyl]urea Openeye Name: [3-[(1-butyl-3,5-dipropyl-pyrrol-2-yl)methyl]phenyl]urea CAS Name: [3-[(1-butyl-3,5-dipropyl-2-pyrrolyl)methyl]phenyl]urea IUPAC Name: [3-[(1-butyl-3,5-dipropylpyrrol-2-yl)methyl]phenyl]urea Traditional Name: [3-[(1-butyl-3,5-dipropyl-pyrrol-2-yl)methyl]phenyl]urea Formula: C22H33N3O MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1CC2=CC(=CC=C2)NC(=O)N)CCC)CCC

Isomeric SMILES

CCCCN1C(=CC(=C1CC2=CC(=CC=C2)NC(=O)N)CCC)CCC

InChI

InChI=1S/C22H33N3O/c1-4-7-13-25-20(10-6-3)16-18(9-5-2)21(25)15-17-11-8-12-19(14-17)24-22(23)26/h8,11-12,14,16H,4-7,9-10,13,15H2,1-3H3,(H3,23,24,26)