methyl 2-[3-cyclohexyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-4-yl]ethanoate

Systemtic Name: methyl 2-[3-cyclohexyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-4-yl]ethanoate Openeye Name: methyl 2-[3-cyclohexyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-4-yl]acetate CAS Name: 2-[3-cyclohexyl-2-(4-methyl-1-piperazinyl)-4H-quinazolin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyclohexyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-4-yl]acetate Traditional Name: 2-[3-cyclohexyl-2-(4-methylpiperazino)-4H-quinazolin-4-yl]acetic acid methyl ester Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(N2C4CCCCC4)CC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(N2C4CCCCC4)CC(=O)OC

InChI

InChI=1S/C22H32N4O2/c1-24-12-14-25(15-13-24)22-23-19-11-7-6-10-18(19)20(16-21(27)28-2)26(22)17-8-4-3-5-9-17/h6-7,10-11,17,20H,3-5,8-9,12-16H2,1-2H3