4-[(2,4-dimethylphenyl)amino]-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[4-[(4-ethylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C31H33N5 MolecularWeight: 475.62722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5)C)C)C#N

InChI

InChI=1S/C31H33N5/c1-4-35-13-15-36(16-14-35)21-24-6-8-25(9-7-24)26-10-11-28-30(18-26)33-20-27(19-32)31(28)34-29-12-5-22(2)17-23(29)3/h5-12,17-18,20H,4,13-16,21H2,1-3H3,(H,33,34)