(E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C15H18Cl2N2O MolecularWeight: 313.22222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H18Cl2N2O/c1-18-7-2-8-19(10-9-18)15(20)6-4-12-3-5-13(16)14(17)11-12/h3-6,11H,2,7-10H2,1H3/b6-4+