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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)N2CCCN(CC2)CCCN

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)N2CCCN(CC2)CCCN

InChI

InChI=1S/C16H25N3O2/c1-13-5-2-6-14(15(13)20)16(21)19-10-4-9-18(11-12-19)8-3-7-17/h2,5-6,20H,3-4,7-12,17H2,1H3