N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-p-toluoylpiperazino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H27N3O4/c1-19-2-4-20(5-3-19)27(32)30-14-12-29(13-15-30)23-9-7-22(8-10-23)28-26(31)21-6-11-24-25(18-21)34-17-16-33-24/h2-11,18H,12-17H2,1H3,(H,28,31)