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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-3-[(2-iodanyl-1-propan-2-yl-pyrrolidin-2-yl)methoxymethyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-ethyl-3-[(2-iodo-1-isopropyl-pyrrolidin-2-yl)methoxymethyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-[(2-iodo-1-propan-2-yl-2-pyrrolidinyl)methoxymethyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-3-[(2-iodo-1-propan-2-ylpyrrolidin-2-yl)methoxymethyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-ethyl-3-[(2-iodo-1-isopropyl-pyrrolidin-2-yl)methoxymethyl]quinoline-6-carbonitrile Formula: C29H34ClIN4O2 MolecularWeight: 632.96333

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)COCC3(CCCN3C(C)C)I)NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)COCC3(CCCN3C(C)C)I)NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C29H34ClIN4O2/c1-5-22-11-21(14-32)12-24-27(22)34-16-23(17-37-18-29(31)9-6-10-35(29)19(2)3)28(24)33-15-20-7-8-26(36-4)25(30)13-20/h7-8,11-13,16,19H,5-6,9-10,15,17-18H2,1-4H3,(H,33,34)