N-[(2S)-butan-2-yl]-5-chloranyl-2-methoxy-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-chloranyl-2-methoxy-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[(1S)-1-methylpropyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-5-chloro-2-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-5-chloro-2-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 5-chloro-N-[(4-keto-1H-quinazolin-2-yl)methyl]-2-methoxy-N-[(1S)-1-methylpropyl]benzamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC[C@H](C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-4-13(2)25(21(27)16-11-14(22)9-10-18(16)28-3)12-19-23-17-8-6-5-7-15(17)20(26)24-19/h5-11,13H,4,12H2,1-3H3,(H,23,24,26)/t13-/m0/s1