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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN=C1N2CCC(CC2C3CCNCC3)C4COC5=C(O4)C(=C(C=C5C(=O)OC)Cl)N

Isomeric SMILES

CC1=NC=CN=C1N2CCC(CC2C3CCNCC3)C4COC5=C(O4)C(=C(C=C5C(=O)OC)Cl)N

InChI

InChI=1S/C25H32ClN5O4/c1-14-24(30-9-8-29-14)31-10-5-16(11-19(31)15-3-6-28-7-4-15)20-13-34-22-17(25(32)33-2)12-18(26)21(27)23(22)35-20/h8-9,12,15-16,19-20,28H,3-7,10-11,13,27H2,1-2H3