N-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O3/c31-24(29-7-9-30(10-8-29)25(32)23-5-6-23)22-3-1-18(2-4-22)17-28-26(33)27-14-19-11-20(15-27)13-21(12-19)16-27/h1-4,19-21,23H,5-17H2,(H,28,33)