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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CCNC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CCNC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H28ClN5O5/c26-18-13-17(21-22(20(18)27)35-12-11-34-21)24(33)36-14-15-5-8-31(9-6-15)10-7-28-25-29-19-4-2-1-3-16(19)23(32)30-25/h1-4,13,15H,5-12,14,27H2,(H2,28,29,30,32)