6-bromanyl-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-bromo-3-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-bromo-3-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-bromo-3-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]quinazolin-4-one Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H23BrN4O2/c1-16-3-2-4-17(11-16)13-25-7-9-26(10-8-25)21(28)14-27-15-24-20-6-5-18(23)12-19(20)22(27)29/h2-6,11-12,15H,7-10,13-14H2,1H3