2-[4-(phenylmethyl)piperazin-1-yl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-(allylamino)-2-(4-benzylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-(allylamino)-2-(4-benzylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-2-11-23-21-20-18(9-6-10-19(20)28)24-22(25-21)27-14-12-26(13-15-27)16-17-7-4-3-5-8-17/h2-5,7-8H,1,6,9-16H2,(H,23,24,25)