[4-(4-azanylbutyl)piperazin-1-yl]-(3-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [4-(4-azanylbutyl)piperazin-1-yl]-(3-methyl-2-oxidanyl-phenyl)methanone Openeye Name: [4-(4-aminobutyl)piperazin-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone CAS Name: [4-(4-aminobutyl)-1-piperazinyl]-(2-hydroxy-3-methylphenyl)methanone IUPAC Name: [4-(4-aminobutyl)piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone Traditional Name: [4-(4-aminobutyl)piperazino]-(2-hydroxy-3-methyl-phenyl)methanone Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CCCCN

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CCCCN

InChI

InChI=1S/C16H25N3O2/c1-13-5-4-6-14(15(13)20)16(21)19-11-9-18(10-12-19)8-3-2-7-17/h4-6,20H,2-3,7-12,17H2,1H3