N-[3-[(E)-2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]phenyl]-4-methyl-benzamide hydrochloride

Systemtic Name: N-[3-[(E)-2-cyano-3-oxidanylidene-3-(quinolin-5-ylamino)prop-1-enyl]phenyl]-4-methyl-benzamide hydrochloride Openeye Name: N-[3-[(E)-2-cyano-3-oxo-3-(5-quinolylamino)prop-1-enyl]phenyl]-4-methyl-benzamide hydrochloride CAS Name: N-[3-[(E)-2-cyano-3-oxo-3-(5-quinolinylamino)prop-1-enyl]phenyl]-4-methylbenzamide hydrochloride IUPAC Name: N-[3-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenyl]-4-methylbenzamide hydrochloride Traditional Name: N-[3-[(E)-2-cyano-3-keto-3-(5-quinolylamino)prop-1-enyl]phenyl]-4-methyl-benzamide hydrochloride Formula: C27H21ClN4O2 MolecularWeight: 468.93424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC4=C3C=CC=N4.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=C3C=CC=N4.Cl

InChI

InChI=1S/C27H20N4O2.ClH/c1-18-10-12-20(13-11-18)26(32)30-22-6-2-5-19(16-22)15-21(17-28)27(33)31-25-9-3-8-24-23(25)7-4-14-29-24;/h2-16H,1H3,(H,30,32)(H,31,33);1H/b21-15+;