ethyl (E)-3-[[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-2-(4-methyl-1-piperazinyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-2-(4-methylpiperazino)anilino]-2-cyano-acrylic acid ethyl ester Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)Cl)N2CCN(CC2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C)/C#N

InChI

InChI=1S/C17H21ClN4O2/c1-3-24-17(23)13(11-19)12-20-15-10-14(18)4-5-16(15)22-8-6-21(2)7-9-22/h4-5,10,12,20H,3,6-9H2,1-2H3/b13-12+