[1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: [1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-[1-(3-methylpyrazin-2-yl)-4-piperidyl]-4-piperidyl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidin-4-yl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-[1-(3-methylpyrazin-2-yl)-4-piperidyl]-4-piperidyl]methyl ester Formula: C25H32ClN5O4 MolecularWeight: 502.00568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN=C1N2CCC(CC2)N3CCC(CC3)COC(=O)C4=CC(=C(C5=C4OCCO5)N)Cl

Isomeric SMILES

CC1=NC=CN=C1N2CCC(CC2)N3CCC(CC3)COC(=O)C4=CC(=C(C5=C4OCCO5)N)Cl

InChI

InChI=1S/C25H32ClN5O4/c1-16-24(29-7-6-28-16)31-10-4-18(5-11-31)30-8-2-17(3-9-30)15-35-25(32)19-14-20(26)21(27)23-22(19)33-12-13-34-23/h6-7,14,17-18H,2-5,8-13,15,27H2,1H3