3-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-2-cyano-N-phenyl-prop-2-enamide

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-2-cyano-N-phenyl-prop-2-enamide Openeye Name: 3-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-2-cyano-N-phenyl-prop-2-enamide CAS Name: 3-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-2-cyano-N-phenyl-2-propenamide IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-2-cyano-N-phenylprop-2-enamide Traditional Name: 3-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-2-cyano-N-phenyl-acrylamide Formula: C21H21Cl2N3O MolecularWeight: 402.31694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=C(C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=C(C#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H21Cl2N3O/c1-16-13-20(26(11-9-22)12-10-23)8-7-17(16)14-18(15-24)21(27)25-19-5-3-2-4-6-19/h2-8,13-14H,9-12H2,1H3,(H,25,27)