8-methyl-3-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]-8-methyl-quinazolin-4-one Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCCCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C22H26N4O2/c1-16-8-6-9-17-21(16)23-15-25(22(17)28)14-20(27)26-13-5-3-4-10-19(26)18-11-7-12-24(18)2/h6-9,11-12,15,19H,3-5,10,13-14H2,1-2H3/t19-/m0/s1