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

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylpropanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-propionamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N5O2/c1-30(16-23-15-28-31(18-23)17-19-5-3-2-4-6-19)24(32)7-8-27-25(33)29-26-12-20-9-21(13-26)11-22(10-20)14-26/h2-6,15,18,20-22H,7-14,16-17H2,1H3,(H2,27,29,33)