(3S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H31N3O4/c30-25(20-7-4-13-28(18-20)26(31)27-21-8-2-1-3-9-21)29-14-5-10-22(29)19-11-12-23-24(17-19)33-16-6-15-32-23/h1-3,8-9,11-12,17,20,22H,4-7,10,13-16,18H2,(H,27,31)/t20-,22-/m0/s1