4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(cyclobutylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(cyclobutylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(cyclobutylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(cyclobutylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(cyclobutylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(cyclobutylamino)methyl]quinoline-6-carbonitrile Formula: C23H23ClN4O MolecularWeight: 406.90792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNC4CCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNC4CCC4)C#N)Cl

InChI

InChI=1S/C23H23ClN4O/c1-29-22-8-6-16(10-20(22)24)12-28-23-17(13-26-18-3-2-4-18)14-27-21-7-5-15(11-25)9-19(21)23/h5-10,14,18,26H,2-4,12-13H2,1H3,(H,27,28)