ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(4-methylpiperazin-1-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-[(4-methylpiperazin-1-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-[(4-methylpiperazin-1-yl)amino]prop-2-enoate CAS Name: (E)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(4-methyl-1-piperazinyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-[(4-methylpiperazin-1-yl)amino]prop-2-enoate Traditional Name: (E)-2-(2-chloronicotinoyl)-3-[(4-methylpiperazino)amino]acrylic acid ethyl ester Formula: C16H21ClN4O3 MolecularWeight: 352.81594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNN1CCN(CC1)C)C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C(=C/NN1CCN(CC1)C)/C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H21ClN4O3/c1-3-24-16(23)13(11-19-21-9-7-20(2)8-10-21)14(22)12-5-4-6-18-15(12)17/h4-6,11,19H,3,7-10H2,1-2H3/b13-11+