7-chloranyl-1-[1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-(3-methoxyphenyl)quinazoline-2,4-dione

Systemtic Name: 7-chloranyl-1-[1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-(3-methoxyphenyl)quinazoline-2,4-dione Openeye Name: 1-[1-(4-acetylpiperazine-1-carbonyl)propyl]-7-chloro-3-(3-methoxyphenyl)quinazoline-2,4-dione CAS Name: 1-[1-(4-acetyl-1-piperazinyl)-1-oxobutan-2-yl]-7-chloro-3-(3-methoxyphenyl)quinazoline-2,4-dione IUPAC Name: 1-[1-(4-acetylpiperazin-1-yl)-1-oxobutan-2-yl]-7-chloro-3-(3-methoxyphenyl)quinazoline-2,4-dione Traditional Name: 1-[1-(4-acetylpiperazine-1-carbonyl)propyl]-7-chloro-3-(3-methoxyphenyl)quinazoline-2,4-quinone Formula: C25H27ClN4O5 MolecularWeight: 498.95868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)C)N2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)C)N2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27ClN4O5/c1-4-21(24(33)28-12-10-27(11-13-28)16(2)31)30-22-14-17(26)8-9-20(22)23(32)29(25(30)34)18-6-5-7-19(15-18)35-3/h5-9,14-15,21H,4,10-13H2,1-3H3