N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(4-o-phenetylpiperazino)propyl]adamantane-1-carboxamide Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O3/c1-2-32-23-6-4-3-5-22(23)28-9-11-29(12-10-28)24(30)7-8-27-25(31)26-16-19-13-20(17-26)15-21(14-19)18-26/h3-6,19-21H,2,7-18H2,1H3,(H,27,31)