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

Systemtic Name: 1-(azepin-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-(azepin-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-(1-azepinyl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-(azepin-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-(azepin-1-yl)-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-2-phenyl-butan-1-one Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C(=O)N3C=CC=CC=C3)C4=C5C(=CC=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C(=O)N3C=CC=CC=C3)C4=C5C(=CC=C4)OCCO5

InChI

InChI=1S/C28H31N3O3/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/h1-12,14-15,24H,13,16-22H2