(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H22N2O4/c24-20-11-16(14-23(20)13-15-5-2-1-3-6-15)21(25)22-17-7-8-18-19(12-17)27-10-4-9-26-18/h1-3,5-8,12,16H,4,9-11,13-14H2,(H,22,25)/t16-/m0/s1