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

Systemtic Name: 8-methyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 8-methyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 8-methyl-3-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]-8-methyl-quinazolin-4-one Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-17-8-6-9-18-22(17)24-16-26(23(18)29)15-12-21(28)27-14-5-3-4-10-20(27)19-11-7-13-25(19)2/h6-9,11,13,16,20H,3-5,10,12,14-15H2,1-2H3