3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: (4-benzhydrylpiperazino)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C27H28N2O3/c30-27(23-12-13-24-25(20-23)32-19-7-18-31-24)29-16-14-28(15-17-29)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26H,7,14-19H2