1-[2-methoxy-5-[1-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]urea

Systemtic Name: 1-[2-methoxy-5-[1-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]phenyl]urea Openeye Name: [5-[1-hydroxy-4-[4-(2-pyridyl)piperazin-1-yl]butyl]-2-methoxy-phenyl]urea CAS Name: [5-[1-hydroxy-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-methoxyphenyl]urea IUPAC Name: [5-[1-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-methoxyphenyl]urea Traditional Name: [5-[1-hydroxy-4-[4-(2-pyridyl)piperazino]butyl]-2-methoxy-phenyl]urea Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=N3)O)NC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=N3)O)NC(=O)N

InChI

InChI=1S/C21H29N5O3/c1-29-19-8-7-16(15-17(19)24-21(22)28)18(27)5-4-10-25-11-13-26(14-12-25)20-6-2-3-9-23-20/h2-3,6-9,15,18,27H,4-5,10-14H2,1H3,(H3,22,24,28)