1-(2-bromophenyl)-3-[4-[butyl(furan-2-ylmethyl)amino]-3-piperidin-1-ylcarbonyl-phenyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-[butyl(furan-2-ylmethyl)amino]-3-piperidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(2-bromophenyl)-3-[4-[butyl(2-furylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]urea CAS Name: 1-(2-bromophenyl)-3-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-piperidinyl)methyl]phenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[4-[butyl(furan-2-ylmethyl)amino]-3-(piperidine-1-carbonyl)phenyl]urea Traditional Name: 1-(2-bromophenyl)-3-[4-[butyl(2-furfuryl)amino]-3-(piperidine-1-carbonyl)phenyl]urea Formula: C28H33BrN4O3 MolecularWeight: 553.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Br)C(=O)N4CCCCC4

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Br)C(=O)N4CCCCC4

InChI

InChI=1S/C28H33BrN4O3/c1-2-3-15-33(20-22-10-9-18-36-22)26-14-13-21(19-23(26)27(34)32-16-7-4-8-17-32)30-28(35)31-25-12-6-5-11-24(25)29/h5-6,9-14,18-19H,2-4,7-8,15-17,20H2,1H3,(H2,30,31,35)