1-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione

Systemtic Name: 1-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione Openeye Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxo-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione CAS Name: 1-[4-[(4-amino-7-quinazolinyl)methyl]-3-oxo-1-piperazinyl]-3-(3-chlorophenyl)propane-1,3-dione IUPAC Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione Traditional Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-piperazino]-3-(3-chlorophenyl)propane-1,3-dione Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)CC(=O)C2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)CC(=O)C2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C22H20ClN5O3/c23-16-3-1-2-15(9-16)19(29)10-20(30)28-7-6-27(21(31)12-28)11-14-4-5-17-18(8-14)25-13-26-22(17)24/h1-5,8-9,13H,6-7,10-12H2,(H2,24,25,26)