N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)pyridin-2-yl]benzamide

Systemtic Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)pyridin-2-yl]benzamide Openeye Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)-2-pyridyl]benzamide CAS Name: N-(4-tert-butylphenyl)-4-[3-(1-pyrrolidinylmethyl)-2-pyridinyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)pyridin-2-yl]benzamide Traditional Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidinomethyl)-2-pyridyl]benzamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=C(C=CC=N3)CN4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=C(C=CC=N3)CN4CCCC4

InChI

InChI=1S/C27H31N3O/c1-27(2,3)23-12-14-24(15-13-23)29-26(31)21-10-8-20(9-11-21)25-22(7-6-16-28-25)19-30-17-4-5-18-30/h6-16H,4-5,17-19H2,1-3H3,(H,29,31)