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

Systemtic Name: [4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(2,4-dimethylphenyl)methanone Openeye Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2,4-dimethylphenyl)methanone CAS Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2,4-dimethylphenyl)methanone IUPAC Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2,4-dimethylphenyl)methanone Traditional Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2,4-dimethylphenyl)methanone Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-5-6-16(15(2)13-14)17(21)20-10-4-9-19(11-12-20)8-3-7-18/h5-6,13H,3-4,7-12,18H2,1-2H3