N-(1-adamantyl)-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantyl)-2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-(1-adamantyl)-2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantyl)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantyl)-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]propionamide Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H38N4O2/c1-18-3-5-23(6-4-18)27-24(31)17-29-7-9-30(10-8-29)19(2)25(32)28-26-14-20-11-21(15-26)13-22(12-20)16-26/h3-6,19-22H,7-17H2,1-2H3,(H,27,31)(H,28,32)