[4-(2-azanylethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(2-azanylethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone Formula: C16H25N3O MolecularWeight: 275.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-10-14(2)12-15(11-13)16(20)19-6-3-5-18(7-4-17)8-9-19/h10-12H,3-9,17H2,1-2H3