N-(1-adamantylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(4-cyanobenzyl)piperazino]propionamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H35N5O2/c1-18(31-8-6-30(7-9-31)17-20-4-2-19(16-27)3-5-20)24(32)28-25(33)29-26-13-21-10-22(14-26)12-23(11-21)15-26/h2-5,18,21-23H,6-15,17H2,1H3,(H2,28,29,32,33)