5-(1-ethylpiperidin-3-yl)-6-iodanyl-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline

Systemtic Name: 5-(1-ethylpiperidin-3-yl)-6-iodanyl-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline Openeye Name: 5-(1-ethyl-3-piperidyl)-6-iodo-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline CAS Name: 5-(1-ethyl-3-piperidinyl)-6-iodo-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline IUPAC Name: 5-(1-ethylpiperidin-3-yl)-6-iodo-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline Traditional Name: 5-(1-ethyl-3-piperidyl)-6-iodo-2-(4-methoxyphenyl)-1,4,4a,8a-tetrahydroquinazoline Formula: C22H28IN3O MolecularWeight: 477.38169

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)C2=C(C=CC3C2CN=C(N3)C4=CC=C(C=C4)OC)I

Isomeric SMILES

CCN1CCCC(C1)C2=C(C=CC3C2CN=C(N3)C4=CC=C(C=C4)OC)I

InChI

InChI=1S/C22H28IN3O/c1-3-26-12-4-5-16(14-26)21-18-13-24-22(25-20(18)11-10-19(21)23)15-6-8-17(27-2)9-7-15/h6-11,16,18,20H,3-5,12-14H2,1-2H3,(H,24,25)