methyl 2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-(7-chloro-4-quinazolinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(7-chloroquinazolin-4-yl)piperazino]acetic acid methyl ester Formula: C21H20Cl2N4O2 MolecularWeight: 431.3151

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C21H20Cl2N4O2/c1-29-21(28)19(14-2-4-15(22)5-3-14)26-8-10-27(11-9-26)20-17-7-6-16(23)12-18(17)24-13-25-20/h2-7,12-13,19H,8-11H2,1H3