3-(1-adamantyl)-2-phenyl-propanimidamide; (E)-3-(1-adamantyl)-2-phenyl-prop-2-enenitrile; hydrochloride

Systemtic Name: 3-(1-adamantyl)-2-phenyl-propanimidamide; (E)-3-(1-adamantyl)-2-phenyl-prop-2-enenitrile; hydrochloride Openeye Name: 3-(1-adamantyl)-2-phenyl-propanamidine; (E)-3-(1-adamantyl)-2-phenyl-prop-2-enenitrile; hydrochloride CAS Name: 3-(1-adamantyl)-2-phenylpropanimidamide; (E)-3-(1-adamantyl)-2-phenyl-2-propenenitrile; hydrochloride IUPAC Name: 3-(1-adamantyl)-2-phenylpropanimidamide; (E)-3-(1-adamantyl)-2-phenylprop-2-enenitrile; hydrochloride Traditional Name: (E)-3-(1-adamantyl)-2-phenyl-acrylonitrile; 3-(1-adamantyl)-2-phenyl-propionamidine; hydrochloride Formula: C38H48ClN3 MolecularWeight: 582.26082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(C4=CC=CC=C4)C(=N)N.C1C2CC3CC1CC(C2)(C3)C=C(C#N)C4=CC=CC=C4.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(C4=CC=CC=C4)C(=N)N.C1C2CC3CC1CC(C2)(C3)/C=C(/C#N)\C4=CC=CC=C4.Cl

InChI

InChI=1S/C19H26N2.C19H21N.ClH/c20-18(21)17(16-4-2-1-3-5-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19;20-13-18(17-4-2-1-3-5-17)12-19-9-14-6-15(10-19)8-16(7-14)11-19;/h1-5,13-15,17H,6-12H2,(H3,20,21);1-5,12,14-16H,6-11H2;1H/b;18-12-;