N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)ethyl]-1H-indole-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)ethyl]-1H-indole-2-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C21H21N3O4/c25-20(15-6-7-18-19(13-15)28-11-3-10-27-18)22-8-9-23-21(26)17-12-14-4-1-2-5-16(14)24-17/h1-2,4-7,12-13,24H,3,8-11H2,(H,22,25)(H,23,26)