3-[5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]-6,7-diethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxo-pentyl]-6,7-diethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[5-[4-(3-chlorophenyl)-1-piperazinyl]-5-oxopentyl]-6,7-diethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[5-[4-(3-chlorophenyl)piperazino]-5-keto-pentyl]-6,7-diethoxy-1H-quinazoline-2,4-quinone Formula: C27H33ClN4O5 MolecularWeight: 529.02772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)OCC

InChI

InChI=1S/C27H33ClN4O5/c1-3-36-23-17-21-22(18-24(23)37-4-2)29-27(35)32(26(21)34)11-6-5-10-25(33)31-14-12-30(13-15-31)20-9-7-8-19(28)16-20/h7-9,16-18H,3-6,10-15H2,1-2H3,(H,29,35)