2-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C28H30N3O4+ MolecularWeight: 472.5555

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C28H29N3O4/c32-27(30-23-11-5-4-10-22(23)28(33)29-21-8-2-1-3-9-21)19-31-15-6-12-24(31)20-13-14-25-26(18-20)35-17-7-16-34-25/h1-5,8-11,13-14,18,24H,6-7,12,15-17,19H2,(H,29,33)(H,30,32)/p+1/t24-/m0/s1