2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenyl-pentane-1,5-dione hydrochloride

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenyl-pentane-1,5-dione hydrochloride Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-diphenyl-pentane-1,5-dione hydrochloride CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-diphenylpentane-1,5-dione hydrochloride IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylidene-1,5-diphenylpentane-1,5-dione hydrochloride Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]-4-methylene-1,5-diphenyl-pentane-1,5-dione hydrochloride Formula: C23H26Cl3NO2 MolecularWeight: 454.81704

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(CN(CCCl)CCCl)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

C=C(CC(CN(CCCl)CCCl)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C23H25Cl2NO2.ClH/c1-18(22(27)19-8-4-2-5-9-19)16-21(17-26(14-12-24)15-13-25)23(28)20-10-6-3-7-11-20;/h2-11,21H,1,12-17H2;1H