1-[3-[(1,3,5-tripropylpyrrol-2-yl)methyl]phenyl]urea

Systemtic Name: 1-[3-[(1,3,5-tripropylpyrrol-2-yl)methyl]phenyl]urea Openeye Name: [3-[(1,3,5-tripropylpyrrol-2-yl)methyl]phenyl]urea CAS Name: [3-[(1,3,5-tripropyl-2-pyrrolyl)methyl]phenyl]urea IUPAC Name: [3-[(1,3,5-tripropylpyrrol-2-yl)methyl]phenyl]urea Traditional Name: [3-[(1,3,5-tripropylpyrrol-2-yl)methyl]phenyl]urea Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(N1CCC)CC2=CC(=CC=C2)NC(=O)N)CCC

Isomeric SMILES

CCCC1=CC(=C(N1CCC)CC2=CC(=CC=C2)NC(=O)N)CCC

InChI

InChI=1S/C21H31N3O/c1-4-8-17-15-19(9-5-2)24(12-6-3)20(17)14-16-10-7-11-18(13-16)23-21(22)25/h7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3,(H3,22,23,25)