4-[(2-chloranyl-4,5-dimethyl-phenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-ynyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2-chloranyl-4,5-dimethyl-phenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-ynyl]quinoline-3-carbonitrile Openeye Name: 4-(2-chloro-4,5-dimethyl-anilino)-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-ynyl]quinoline-3-carbonitrile CAS Name: 4-(2-chloro-4,5-dimethylanilino)-6-methoxy-7-[4-(4-methyl-1-piperazinyl)but-1-ynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2-chloro-4,5-dimethylanilino)-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-ynyl]quinoline-3-carbonitrile Traditional Name: 4-(2-chloro-4,5-dimethyl-anilino)-6-methoxy-7-[4-(4-methylpiperazino)but-1-ynyl]quinoline-3-carbonitrile Formula: C28H30ClN5O MolecularWeight: 488.0237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Cl)NC2=C3C=C(C(=CC3=NC=C2C#N)C#CCCN4CCN(CC4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)Cl)NC2=C3C=C(C(=CC3=NC=C2C#N)C#CCCN4CCN(CC4)C)OC

InChI

InChI=1S/C28H30ClN5O/c1-19-13-24(29)26(14-20(19)2)32-28-22(17-30)18-31-25-15-21(27(35-4)16-23(25)28)7-5-6-8-34-11-9-33(3)10-12-34/h13-16,18H,6,8-12H2,1-4H3,(H,31,32)