methyl 5-azanyl-6-chloranyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]ethyl]-3-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: methyl 5-azanyl-6-chloranyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)amino]ethyl]-3-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: methyl 5-amino-6-chloro-2-[2-[(4-oxo-1H-quinazolin-2-yl)amino]ethyl]-3-(4-piperidyl)-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2-[2-[(4-oxo-1H-quinazolin-2-yl)amino]ethyl]-3-(4-piperidinyl)-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-6-chloro-2-[2-[(4-oxo-1H-quinazolin-2-yl)amino]ethyl]-3-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2-[2-[(4-keto-1H-quinazolin-2-yl)amino]ethyl]-3-(4-piperidyl)-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid methyl ester Formula: C25H28ClN5O5 MolecularWeight: 513.97332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C2=C1OC(C(O2)C3CCNCC3)CCNC4=NC(=O)C5=CC=CC=C5N4)N)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C2=C1OC(C(O2)C3CCNCC3)CCNC4=NC(=O)C5=CC=CC=C5N4)N)Cl

InChI

InChI=1S/C25H28ClN5O5/c1-34-24(33)15-12-16(26)19(27)22-21(15)35-18(20(36-22)13-6-9-28-10-7-13)8-11-29-25-30-17-5-3-2-4-14(17)23(32)31-25/h2-5,12-13,18,20,28H,6-11,27H2,1H3,(H2,29,30,31,32)