1-butyl-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-butyl-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-butyl-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-butyl-3-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-butyl-3-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]urea Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC)CC

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC)CC

InChI

InChI=1S/C21H34N4O2/c1-4-7-12-22-21(27)23-18-8-10-19(11-9-18)24-13-15-25(16-14-24)20(26)17(5-2)6-3/h8-11,17H,4-7,12-16H2,1-3H3,(H2,22,23,27)