7-(4-methylphenyl)-3-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinazolin-4-one

Systemtic Name: 7-(4-methylphenyl)-3-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinazolin-4-one Openeye Name: 7-(p-tolyl)-3-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinazolin-4-one CAS Name: 7-(4-methylphenyl)-3-[2-[4-(1-pyrrolidinylmethyl)phenyl]ethyl]-4-quinazolinone IUPAC Name: 7-(4-methylphenyl)-3-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]quinazolin-4-one Traditional Name: 7-(p-tolyl)-3-[2-[4-(pyrrolidinomethyl)phenyl]ethyl]quinazolin-4-one Formula: C28H29N3O MolecularWeight: 423.54936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(C=N3)CCC4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(C=N3)CCC4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C28H29N3O/c1-21-4-10-24(11-5-21)25-12-13-26-27(18-25)29-20-31(28(26)32)17-14-22-6-8-23(9-7-22)19-30-15-2-3-16-30/h4-13,18,20H,2-3,14-17,19H2,1H3