4-[(2,4-dichlorophenyl)amino]-7-[3-(dimethylamino)prop-1-ynyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dichlorophenyl)amino]-7-[3-(dimethylamino)prop-1-ynyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloroanilino)-7-[3-(dimethylamino)prop-1-ynyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloroanilino)-7-[3-(dimethylamino)prop-1-ynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloroanilino)-7-[3-(dimethylamino)prop-1-ynyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloroanilino)-7-[3-(dimethylamino)prop-1-ynyl]quinoline-3-carbonitrile Formula: C21H16Cl2N4 MolecularWeight: 395.28454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=NC=C(C(=C2C=C1)NC3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CN(C)CC#CC1=CC2=NC=C(C(=C2C=C1)NC3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C21H16Cl2N4/c1-27(2)9-3-4-14-5-7-17-20(10-14)25-13-15(12-24)21(17)26-19-8-6-16(22)11-18(19)23/h5-8,10-11,13H,9H2,1-2H3,(H,25,26)