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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C24H33N5O4/c1-16(27-6-8-28(9-7-27)20-4-2-3-5-21(20)29(32)33)22(30)25-23(31)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,16-19H,6-15H2,1H3,(H2,25,26,30,31)