(2S)-2-methyl-N-(pyren-1-ylmethyl)-1-pyridin-4-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-2-methyl-N-(pyren-1-ylmethyl)-1-pyridin-4-yl-pyrrolidine-2-carboxamide Openeye Name: (2S)-2-methyl-N-(pyren-1-ylmethyl)-1-(4-pyridyl)pyrrolidine-2-carboxamide CAS Name: (2S)-2-methyl-N-(1-pyrenylmethyl)-1-pyridin-4-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-2-methyl-N-(pyren-1-ylmethyl)-1-pyridin-4-ylpyrrolidine-2-carboxamide Traditional Name: (2S)-2-methyl-N-(pyren-1-ylmethyl)-1-(4-pyridyl)pyrrolidine-2-carboxamide Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C2=CC=NC=C2)C(=O)NCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C[C@]1(CCCN1C2=CC=NC=C2)C(=O)NCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C28H25N3O/c1-28(14-3-17-31(28)23-12-15-29-16-13-23)27(32)30-18-22-9-8-21-7-6-19-4-2-5-20-10-11-24(22)26(21)25(19)20/h2,4-13,15-16H,3,14,17-18H2,1H3,(H,30,32)/t28-/m0/s1