4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-(pyrrolidin-2-ylmethoxymethyl)quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-(pyrrolidin-2-ylmethoxymethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-ethyl-3-(pyrrolidin-2-ylmethoxymethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-(2-pyrrolidinylmethoxymethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-(pyrrolidin-2-ylmethoxymethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-ethyl-3-(pyrrolidin-2-ylmethoxymethyl)quinoline-6-carbonitrile Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COCC3CCCN3)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C26H29ClN4O2/c1-3-19-9-18(12-28)10-22-25(19)31-14-20(15-33-16-21-5-4-8-29-21)26(22)30-13-17-6-7-24(32-2)23(27)11-17/h6-7,9-11,14,21,29H,3-5,8,13,15-16H2,1-2H3,(H,30,31)