3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)-2-benzimidazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H40N6O MolecularWeight: 536.7103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C33H40N6O/c1-3-37(4-2)14-15-38-29-13-9-8-12-28(29)34-32(38)35-31(40)27-22-39(26-10-6-5-7-11-26)36-30(27)33-19-23-16-24(20-33)18-25(17-23)21-33/h5-13,22-25H,3-4,14-21H2,1-2H3,(H,34,35,40)