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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H29N3O3/c1-3-25-9-11-26(12-10-25)19-6-7-20(17(2)15-19)24-23(27)18-5-8-21-22(16-18)29-14-4-13-28-21/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,24,27)