N-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H37N3O3/c1-36-27-4-2-3-26(16-27)32-9-11-33(12-10-32)28(34)25-7-5-21(6-8-25)20-31-29(35)30-17-22-13-23(18-30)15-24(14-22)19-30/h2-8,16,22-24H,9-15,17-20H2,1H3,(H,31,35)