3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-butenamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-methylpiperazino)phenyl]but-2-enamide Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29N3O3/c1-18(19-4-9-22-23(17-19)30-15-3-14-29-22)16-24(28)25-20-5-7-21(8-6-20)27-12-10-26(2)11-13-27/h4-9,16-17H,3,10-15H2,1-2H3,(H,25,28)