N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(4-ethylbenzyl)pyrazol-3-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N4O2/c1-2-19-5-7-20(8-6-19)18-31-24(9-11-29-31)30-25(32)4-3-10-28-26(33)27-15-21-12-22(16-27)14-23(13-21)17-27/h5-9,11,21-23H,2-4,10,12-18H2,1H3,(H,28,33)(H,30,32)