6,7-bis(azanyl)-4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-bis(azanyl)-4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]quinoline-3-carbonitrile Openeye Name: 6,7-diamino-4-(4-chloro-5-methoxy-2-methyl-anilino)quinoline-3-carbonitrile CAS Name: 6,7-diamino-4-(4-chloro-5-methoxy-2-methylanilino)-3-quinolinecarbonitrile IUPAC Name: 6,7-diamino-4-(4-chloro-5-methoxy-2-methylanilino)quinoline-3-carbonitrile Traditional Name: 6,7-diamino-4-(4-chloro-5-methoxy-2-methyl-anilino)quinoline-3-carbonitrile Formula: C18H16ClN5O MolecularWeight: 353.80554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C=NC3=CC(=C(C=C32)N)N)C#N)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C=NC3=CC(=C(C=C32)N)N)C#N)OC)Cl

InChI

InChI=1S/C18H16ClN5O/c1-9-3-12(19)17(25-2)6-15(9)24-18-10(7-20)8-23-16-5-14(22)13(21)4-11(16)18/h3-6,8H,21-22H2,1-2H3,(H,23,24)