3-(1-adamantylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H31N5O2/c30-22(26-14-20-15-27-29(16-20)21-4-2-1-3-5-21)6-7-25-23(31)28-24-11-17-8-18(12-24)10-19(9-17)13-24/h1-5,15-19H,6-14H2,(H,26,30)(H2,25,28,31)