N-(1-adamantylcarbamoyl)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-chlorobenzoyl)piperazino]propionamide Formula: C25H33ClN4O3 MolecularWeight: 473.00752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H33ClN4O3/c1-16(29-6-8-30(9-7-29)23(32)20-4-2-3-5-21(20)26)22(31)27-24(33)28-25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,16-19H,6-15H2,1H3,(H2,27,28,31,33)