N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butyl]adamantane-1-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O2/c1-29(17-22-16-28-30(18-22)23-6-3-2-4-7-23)24(31)8-5-9-27-25(32)26-13-19-10-20(14-26)12-21(11-19)15-26/h2-4,6-7,16,18-21H,5,8-15,17H2,1H3,(H,27,32)