4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-cyclopentylpyrrolidin-2-yl)methoxymethyl]-8-ethyl-quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(1-cyclopentylpyrrolidin-2-yl)methoxymethyl]-8-ethyl-quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(1-cyclopentylpyrrolidin-2-yl)methoxymethyl]-8-ethyl-quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-cyclopentyl-2-pyrrolidinyl)methoxymethyl]-8-ethyl-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(1-cyclopentylpyrrolidin-2-yl)methoxymethyl]-8-ethylquinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(1-cyclopentylpyrrolidin-2-yl)methoxymethyl]-8-ethyl-quinoline-6-carbonitrile Formula: C31H37ClN4O2 MolecularWeight: 533.10408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3C4CCCC4)NCC5=CC(=C(C=C5)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3C4CCCC4)NCC5=CC(=C(C=C5)OC)Cl)C#N

InChI

InChI=1S/C31H37ClN4O2/c1-3-23-13-22(16-33)14-27-30(23)35-18-24(31(27)34-17-21-10-11-29(37-2)28(32)15-21)19-38-20-26-9-6-12-36(26)25-7-4-5-8-25/h10-11,13-15,18,25-26H,3-9,12,17,19-20H2,1-2H3,(H,34,35)