1-heptan-2-yl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-heptan-2-yl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(1-methylhexyl)-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-heptan-2-yl-3-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-heptan-2-yl-3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(1-methylhexyl)-3-[2-methyl-4-(4-methylpiperazino)phenyl]urea Formula: C20H34N4O MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)NC1=C(C=C(C=C1)N2CCN(CC2)C)C

InChI

InChI=1S/C20H34N4O/c1-5-6-7-8-17(3)21-20(25)22-19-10-9-18(15-16(19)2)24-13-11-23(4)12-14-24/h9-10,15,17H,5-8,11-14H2,1-4H3,(H2,21,22,25)