2-[4-[7-(3-chlorophenyl)-5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl]piperazin-1-yl]ethyl 4-methoxybenzoate

Systemtic Name: 2-[4-[7-(3-chlorophenyl)-5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl]piperazin-1-yl]ethyl 4-methoxybenzoate Openeye Name: 2-[4-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazin-1-yl]ethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-[4-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazin-1-yl]ethyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-[4-[7-(3-chlorophenyl)-5-keto-7,8-dihydro-6H-quinazolin-2-yl]piperazino]ethyl ester Formula: C28H29ClN4O4 MolecularWeight: 521.00726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H29ClN4O4/c1-36-23-7-5-19(6-8-23)27(35)37-14-13-32-9-11-33(12-10-32)28-30-18-24-25(31-28)16-21(17-26(24)34)20-3-2-4-22(29)15-20/h2-8,15,18,21H,9-14,16-17H2,1H3