N-butyl-2-[4-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl]piperazino]acetamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H28N6O2/c1-2-3-9-23-20(28)16-26-13-11-25(12-14-26)15-19-24-18-7-5-4-6-17(18)21(29)27(19)10-8-22/h4-7H,2-3,9-16H2,1H3,(H,23,28)