[1-[3-(3-methyl-6-oxidanylidene-pyridazin-1-yl)propyl]piperidin-4-yl]methyl 7-azanyl-6-chloranyl-1,3-benzodioxole-4-carboxylate

Systemtic Name: [1-[3-(3-methyl-6-oxidanylidene-pyridazin-1-yl)propyl]piperidin-4-yl]methyl 7-azanyl-6-chloranyl-1,3-benzodioxole-4-carboxylate Openeye Name: [1-[3-(3-methyl-6-oxo-pyridazin-1-yl)propyl]-4-piperidyl]methyl 7-amino-6-chloro-1,3-benzodioxole-4-carboxylate CAS Name: 7-amino-6-chloro-1,3-benzodioxole-4-carboxylic acid [1-[3-(3-methyl-6-oxo-1-pyridazinyl)propyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[3-(3-methyl-6-oxopyridazin-1-yl)propyl]piperidin-4-yl]methyl 7-amino-6-chloro-1,3-benzodioxole-4-carboxylate Traditional Name: 7-amino-6-chloro-1,3-benzodioxole-4-carboxylic acid [1-[3-(6-keto-3-methyl-pyridazin-1-yl)propyl]-4-piperidyl]methyl ester Formula: C22H27ClN4O5 MolecularWeight: 462.92658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C=C1)CCCN2CCC(CC2)COC(=O)C3=CC(=C(C4=C3OCO4)N)Cl

Isomeric SMILES

CC1=NN(C(=O)C=C1)CCCN2CCC(CC2)COC(=O)C3=CC(=C(C4=C3OCO4)N)Cl

InChI

InChI=1S/C22H27ClN4O5/c1-14-3-4-18(28)27(25-14)8-2-7-26-9-5-15(6-10-26)12-30-22(29)16-11-17(23)19(24)21-20(16)31-13-32-21/h3-4,11,15H,2,5-10,12-13,24H2,1H3