N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloranylpyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloranylpyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloropyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloro-1-pyrazolyl)-1-(2-methoxyethyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloropyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-5-(4-chloropyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide Formula: C22H29ClN6O3 MolecularWeight: 460.95706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)C(C(C3)C2)NC(=O)C4=C(N(N=C4)CCOC)N5C=C(C=N5)Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4=C(N(N=C4)CCOC)N5C=C(C=N5)Cl

InChI

InChI=1S/C22H29ClN6O3/c1-13(30)27-22-7-14-5-15(8-22)19(16(6-14)9-22)26-20(31)18-11-25-28(3-4-32-2)21(18)29-12-17(23)10-24-29/h10-12,14-16,19H,3-9H2,1-2H3,(H,26,31)(H,27,30)/t14?,15-,16-,19?,22?/m0/s1