6-bromanyl-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one Formula: C24H27BrN4O2 MolecularWeight: 483.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C24H27BrN4O2/c1-18-3-5-19(6-4-18)16-27-10-2-11-28(14-13-27)23(30)9-12-29-17-26-22-8-7-20(25)15-21(22)24(29)31/h3-8,15,17H,2,9-14,16H2,1H3