4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[3-oxidanylidene-3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[3-oxidanylidene-3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[3-(4-isopropylpiperazin-1-yl)-3-oxo-propyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[3-oxo-3-(4-propan-2-yl-1-piperazinyl)propyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[3-(4-isopropylpiperazino)-3-keto-propyl]quinoline-6-carbonitrile Formula: C28H32ClN5O2 MolecularWeight: 506.03898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)CCC2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)CCC2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C28H32ClN5O2/c1-19(2)33-10-12-34(13-11-33)27(35)9-6-22-18-31-25-7-4-20(16-30)14-23(25)28(22)32-17-21-5-8-26(36-3)24(29)15-21/h4-5,7-8,14-15,18-19H,6,9-13,17H2,1-3H3,(H,31,32)