1-[(4-tert-butylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(dipentylamino)-1-methyl-ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(diamylamino)-1-methyl-ethyl]pyrazole-3-carboxamide Formula: C28H46N4O2 MolecularWeight: 470.69044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCN(CCCCC)CC(C)NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C28H46N4O2/c1-7-9-11-18-31(19-12-10-8-2)21-23(3)29-27(33)26-17-20-32(30-26)22-34-25-15-13-24(14-16-25)28(4,5)6/h13-17,20,23H,7-12,18-19,21-22H2,1-6H3,(H,29,33)