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

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(4-methylpiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O3/c1-23-9-11-24(12-10-23)18-6-4-17(5-7-18)22-21(25)16-3-8-19-20(15-16)27-14-2-13-26-19/h3-8,15H,2,9-14H2,1H3,(H,22,25)