3-(4-bromanyl-2-methyl-phenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]quinazolin-4-one

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]quinazolin-4-one Openeye Name: 3-(4-bromo-2-methyl-phenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]quinazolin-4-one CAS Name: 3-(4-bromo-2-methylphenyl)-6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-4-quinazolinone IUPAC Name: 3-(4-bromo-2-methylphenyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]quinazolin-4-one Traditional Name: 3-(4-bromo-2-methyl-phenyl)-6-[4-(3,3-diphenylpropyl)piperazino]quinazolin-4-one Formula: C34H33BrN4O MolecularWeight: 593.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C=NC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C=NC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H33BrN4O/c1-25-22-28(35)12-15-33(25)39-24-36-32-14-13-29(23-31(32)34(39)40)38-20-18-37(19-21-38)17-16-30(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,22-24,30H,16-21H2,1H3