4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-[(2-methylphenyl)amino]propyl]quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-[(2-methylphenyl)amino]propyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-methylanilino)propyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-methylanilino)propyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-methylanilino)propyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[3-(o-toluidino)propyl]quinoline-3-carboxamide Formula: C29H28ClN5O2 MolecularWeight: 514.01792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCCCNC(=O)C2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CC1=CC=CC=C1NCCCNC(=O)C2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C29H28ClN5O2/c1-19-6-3-4-7-25(19)32-12-5-13-33-29(36)23-18-34-26-10-8-20(16-31)14-22(26)28(23)35-17-21-9-11-27(37-2)24(30)15-21/h3-4,6-11,14-15,18,32H,5,12-13,17H2,1-2H3,(H,33,36)(H,34,35)