N-[1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H41N3O3/c1-4-20-5-7-24(8-6-20)26(33)31-9-11-32(12-10-31)27(34)25(19(2)3)30-28(35)29-16-21-13-22(17-29)15-23(14-21)18-29/h5-8,19,21-23,25H,4,9-18H2,1-3H3,(H,30,35)