3-(4-methylphenyl)-2-[(1S)-1-[(3R)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[(1S)-1-[(3R)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 2-[(1S)-1-[(3R)-3-methylpiperazin-1-yl]ethyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[(1S)-1-[(3R)-3-methyl-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[(1S)-1-[(3R)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 2-[(1S)-1-[(3R)-3-methylpiperazino]ethyl]-3-(p-tolyl)quinazolin-4-one Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CN(CCN1)[C@@H](C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

InChI

InChI=1S/C22H26N4O/c1-15-8-10-18(11-9-15)26-21(17(3)25-13-12-23-16(2)14-25)24-20-7-5-4-6-19(20)22(26)27/h4-11,16-17,23H,12-14H2,1-3H3/t16-,17+/m1/s1