2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-1-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 2-[4-(7-chloro-4-quinazolinyl)-1-piperazinyl]-1-(3,5-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[4-(7-chloroquinazolin-4-yl)piperazino]-1-(3,5-dimethylpiperidino)ethanone Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C

InChI

InChI=1S/C21H28ClN5O/c1-15-9-16(2)12-27(11-15)20(28)13-25-5-7-26(8-6-25)21-18-4-3-17(22)10-19(18)23-14-24-21/h3-4,10,14-16H,5-9,11-13H2,1-2H3