6-chloranyl-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]amino]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]amino]chromen-2-one Openeye Name: 6-chloro-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidyl]amino]chromen-2-one CAS Name: 6-chloro-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidinyl]amino]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]amino]chromen-2-one Traditional Name: 6-chloro-4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidyl]amino]coumarin Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CN3CCC(CC3)NC4=CC(=O)OC5=C4C=C(C=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CN3CCC(CC3)NC4=CC(=O)OC5=C4C=C(C=C5)Cl)OC1

InChI

InChI=1S/C24H25ClN2O4/c25-17-3-5-21-19(13-17)20(14-24(28)31-21)26-18-6-8-27(9-7-18)15-16-2-4-22-23(12-16)30-11-1-10-29-22/h2-5,12-14,18,26H,1,6-11,15H2