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

Systemtic Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)pyridin-2-yl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)-2-pyridyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-[3-(1-pyrrolidinylmethyl)-2-pyridinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidin-1-ylmethyl)pyridin-2-yl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-[3-(pyrrolidinomethyl)-2-pyridyl]nicotinamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-26(2,3)20-8-10-21(11-9-20)29-25(31)23-17-27-14-12-22(23)24-19(7-6-13-28-24)18-30-15-4-5-16-30/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,29,31)