(phenylmethyl) (2S)-1-[2-(1,4-diazepan-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-(1,4-diazepan-1-yl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-(1,4-diazepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(1,4-diazepan-1-yl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-(1,4-diazepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(1,4-diazepan-1-yl)nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(N=CC=C2)N3CCCNCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=C(N=CC=C2)N3CCCNCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c28-22(19-9-4-12-25-21(19)26-14-6-11-24-13-16-26)27-15-5-10-20(27)23(29)30-17-18-7-2-1-3-8-18/h1-4,7-9,12,20,24H,5-6,10-11,13-17H2/t20-/m0/s1