2-[(4-chloranylphenoxy)methyl]-8-methoxy-3-[3-(4-phenethylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-8-methoxy-3-[3-(4-phenethylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(4-chlorophenoxy)methyl]-8-methoxy-3-[3-(4-phenethylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(4-chlorophenoxy)methyl]-8-methoxy-3-[3-(4-phenethyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenoxy)methyl]-8-methoxy-3-[3-(4-phenethylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(4-chlorophenoxy)methyl]-8-methoxy-3-[3-(4-phenethylpiperazino)propyl]quinazolin-4-one Formula: C31H35ClN4O3 MolecularWeight: 547.0876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N(C2=O)CCCN3CCN(CC3)CCC4=CC=CC=C4)COC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C(N(C2=O)CCCN3CCN(CC3)CCC4=CC=CC=C4)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H35ClN4O3/c1-38-28-10-5-9-27-30(28)33-29(23-39-26-13-11-25(32)12-14-26)36(31(27)37)17-6-16-34-19-21-35(22-20-34)18-15-24-7-3-2-4-8-24/h2-5,7-14H,6,15-23H2,1H3