N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C26H24N2O3/c29-26(19-11-12-24-25(15-19)31-14-6-13-30-24)28-16-21(18-7-2-1-3-8-18)22-17-27-23-10-5-4-9-20(22)23/h1-5,7-12,15,17,21,27H,6,13-14,16H2,(H,28,29)