[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(5-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(5-methyl-2-oxidanyl-phenyl)methanone Openeye Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-hydroxy-5-methyl-phenyl)methanone CAS Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-hydroxy-5-methylphenyl)methanone IUPAC Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-hydroxy-5-methylphenyl)methanone Traditional Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-hydroxy-5-methyl-phenyl)methanone Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCCN(CC2)CCCN

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCCN(CC2)CCCN

InChI

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