1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-2-phenyl-butan-1-one Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H37N3O3/c32-28(31-14-6-1-2-7-15-31)24(23-9-4-3-5-10-23)13-16-29-17-19-30(20-18-29)25-11-8-12-26-27(25)34-22-21-33-26/h3-5,8-12,24H,1-2,6-7,13-22H2