5-(4-tert-butylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

Systemtic Name: 5-(4-tert-butylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(4-tert-butylphenyl)pyridine-3-carboxamide CAS Name: 5-(4-tert-butylphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(4-tert-butylphenyl)pyridine-3-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(4-tert-butylphenyl)nicotinamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-27(2,3)24-11-9-21(10-12-24)22-15-23(17-28-16-22)26(31)29-25-13-14-30(19-25)18-20-7-5-4-6-8-20/h4-12,15-17,25H,13-14,18-19H2,1-3H3,(H,29,31)/t25-/m0/s1