[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-(1-piperidyl)methanone CAS Name: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]-piperidin-1-ylmethanone Traditional Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-piperidino-methanone Formula: C17H24Cl2N2O MolecularWeight: 343.29126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)N(CCCl)CCCl

InChI

InChI=1S/C17H24Cl2N2O/c1-14-5-6-15(17(22)21-9-3-2-4-10-21)13-16(14)20(11-7-18)12-8-19/h5-6,13H,2-4,7-12H2,1H3