[1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]-phenyl-methanone

Systemtic Name: [1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]-phenyl-methanone Openeye Name: [1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidyl]-phenyl-methanone CAS Name: [1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidinyl]-phenylmethanone IUPAC Name: [1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]-phenylmethanone Traditional Name: [1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidyl]-phenyl-methanone Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCC(CC3)C(=O)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCC(CC3)C(=O)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C22H24ClNO3/c23-19-13-16(14-20-22(19)27-12-4-11-26-20)15-24-9-7-18(8-10-24)21(25)17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2