N-(2-diethylaminoethyl)-5-iodanyl-isoquinoline-3-carboxamide dihydrochloride

Systemtic Name: N-(2-diethylaminoethyl)-5-iodanyl-isoquinoline-3-carboxamide dihydrochloride Openeye Name: N-(2-diethylaminoethyl)-5-iodanyl-isoquinoline-3-carboxamide dihydrochloride CAS Name: N-(2-diethylaminoethyl)-5-iodanyl-3-isoquinolinecarboxamide dihydrochloride IUPAC Name: N-(2-diethylaminoethyl)-5-iodanylisoquinoline-3-carboxamide dihydrochloride Traditional Name: N-(2-diethylaminoethyl)-5-iodanyl-isoquinoline-3-carboxamide dihydrochloride Formula: C16H22Cl2IN3O MolecularWeight: 468.176004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=NC=C2C=CC=C(C2=C1)I.Cl.Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=NC=C2C=CC=C(C2=C1)[125I].Cl.Cl

InChI

InChI=1S/C16H20IN3O.2ClH/c1-3-20(4-2)9-8-18-16(21)15-10-13-12(11-19-15)6-5-7-14(13)17;;/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,21);2*1H/i17-2;;