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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13-4-5-15(12-14(13)2)16(20)19-8-3-7-18(9-6-17)10-11-19/h4-5,12H,3,6-11,17H2,1-2H3