N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)methyleneamino]adamantane-1-carboxamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C27H35N5O/c1-19-24(18-28-29-26(33)27-15-20-12-21(16-27)14-22(13-20)17-27)25(31-10-6-3-7-11-31)32(30-19)23-8-4-2-5-9-23/h2,4-5,8-9,18,20-22H,3,6-7,10-17H2,1H3,(H,29,33)/b28-18+