N-(3-aminocarbonyl-4-pyrrolidin-1-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4-pyrrolidin-1-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-carbamoyl-4-pyrrolidin-1-yl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-carbamoyl-4-(1-pyrrolidinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-carbamoyl-4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-carbamoyl-4-pyrrolidino-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C21H23N3O4/c22-20(25)16-13-15(5-6-17(16)24-8-1-2-9-24)23-21(26)14-4-7-18-19(12-14)28-11-3-10-27-18/h4-7,12-13H,1-3,8-11H2,(H2,22,25)(H,23,26)