1-butyl-3-[3-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-4-methyl-phenyl]urea

Systemtic Name: 1-butyl-3-[3-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-4-methyl-phenyl]urea Openeye Name: 1-butyl-3-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methyl-phenyl]urea CAS Name: 1-butyl-3-[3-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-4-methylphenyl]urea IUPAC Name: 1-butyl-3-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]urea Traditional Name: 1-butyl-3-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methyl-phenyl]urea Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)C)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)C)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N4O2/c1-3-4-13-27-25(31)28-22-10-5-18(2)23(16-22)24(30)29-14-11-21(12-15-29)20-8-6-19(17-26)7-9-20/h5-10,16,21H,3-4,11-15H2,1-2H3,(H2,27,28,31)