1-[4-[3-[(1-oxidanyl-8aH-quinolin-2-yl)methoxy]phenyl]but-3-yn-2-yl]urea

Systemtic Name: 1-[4-[3-[(1-oxidanyl-8aH-quinolin-2-yl)methoxy]phenyl]but-3-yn-2-yl]urea Openeye Name: [3-[3-[(1-hydroxy-8aH-quinolin-2-yl)methoxy]phenyl]-1-methyl-prop-2-ynyl]urea CAS Name: 4-[3-[(1-hydroxy-8aH-quinolin-2-yl)methoxy]phenyl]but-3-yn-2-ylurea IUPAC Name: 4-[3-[(1-hydroxy-8aH-quinolin-2-yl)methoxy]phenyl]but-3-yn-2-ylurea Traditional Name: [3-[3-[(1-hydroxy-8aH-quinolin-2-yl)methoxy]phenyl]-1-methyl-prop-2-ynyl]urea Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)OCC2=CC=C3C=CC=CC3N2O)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)OCC2=CC=C3C=CC=CC3N2O)NC(=O)N

InChI

InChI=1S/C21H21N3O3/c1-15(23-21(22)25)9-10-16-5-4-7-19(13-16)27-14-18-12-11-17-6-2-3-8-20(17)24(18)26/h2-8,11-13,15,20,26H,14H2,1H3,(H3,22,23,25)