N-[[4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-[2-(butylamino)-2-oxo-ethyl]piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-[2-(butylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-[2-(butylamino)-2-keto-ethyl]piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C29H42N4O3 MolecularWeight: 494.66878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H42N4O3/c1-2-3-8-30-26(34)20-32-9-11-33(12-10-32)27(35)25-6-4-21(5-7-25)19-31-28(36)29-16-22-13-23(17-29)15-24(14-22)18-29/h4-7,22-24H,2-3,8-20H2,1H3,(H,30,34)(H,31,36)