N-[2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[3-[4-(4-methoxyphenyl)piperazino]propylamino]ethyl]adamantane-1-carboxamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H40N4O3/c1-34-24-5-3-23(4-6-24)31-11-9-30(10-12-31)8-2-7-28-25(32)19-29-26(33)27-16-20-13-21(17-27)15-22(14-20)18-27/h3-6,20-22H,2,7-19H2,1H3,(H,28,32)(H,29,33)