N-[4-(4-cyanophenyl)-1-(ethylamino)-3-(1H-imidazol-5-yl)butan-2-yl]adamantane-2-carboxamide

Systemtic Name: N-[4-(4-cyanophenyl)-1-(ethylamino)-3-(1H-imidazol-5-yl)butan-2-yl]adamantane-2-carboxamide Openeye Name: N-[3-(4-cyanophenyl)-1-(ethylaminomethyl)-2-(1H-imidazol-5-yl)propyl]adamantane-2-carboxamide CAS Name: N-[4-(4-cyanophenyl)-1-(ethylamino)-3-(1H-imidazol-5-yl)butan-2-yl]-2-adamantanecarboxamide IUPAC Name: N-[4-(4-cyanophenyl)-1-(ethylamino)-3-(1H-imidazol-5-yl)butan-2-yl]adamantane-2-carboxamide Traditional Name: N-[3-(4-cyanophenyl)-1-(ethylaminomethyl)-2-(1H-imidazol-5-yl)propyl]adamantane-2-carboxamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C(CC1=CC=C(C=C1)C#N)C2=CN=CN2)NC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCNCC(C(CC1=CC=C(C=C1)C#N)C2=CN=CN2)NC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H35N5O/c1-2-29-15-25(32-27(33)26-21-8-19-7-20(10-21)11-22(26)9-19)23(24-14-30-16-31-24)12-17-3-5-18(13-28)6-4-17/h3-6,14,16,19-23,25-26,29H,2,7-12,15H2,1H3,(H,30,31)(H,32,33)