1-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-2-propyl-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione

Systemtic Name: 1-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-2-propyl-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione Openeye Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxo-2-propyl-piperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione CAS Name: 1-[4-[(4-amino-7-quinazolinyl)methyl]-3-oxo-2-propyl-1-piperazinyl]-3-(3-chlorophenyl)propane-1,3-dione IUPAC Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxo-2-propylpiperazin-1-yl]-3-(3-chlorophenyl)propane-1,3-dione Traditional Name: 1-[4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-2-propyl-piperazino]-3-(3-chlorophenyl)propane-1,3-dione Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1C(=O)CC(=O)C2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

CCCC1C(=O)N(CCN1C(=O)CC(=O)C2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C25H26ClN5O3/c1-2-4-21-25(34)30(14-16-7-8-19-20(11-16)28-15-29-24(19)27)9-10-31(21)23(33)13-22(32)17-5-3-6-18(26)12-17/h3,5-8,11-12,15,21H,2,4,9-10,13-14H2,1H3,(H2,27,28,29)