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

Systemtic Name: 6-bromanyl-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]quinazolin-4-one Formula: C22H25BrN4O2 MolecularWeight: 457.3635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O2/c1-25-11-5-7-19(25)20-6-3-2-4-12-27(20)21(28)10-13-26-15-24-18-9-8-16(23)14-17(18)22(26)29/h5,7-9,11,14-15,20H,2-4,6,10,12-13H2,1H3