5,5-diethyl-2-(3-oxidanylpropylamino)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5,5-diethyl-2-(3-oxidanylpropylamino)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5,5-diethyl-2-(3-hydroxypropylamino)-6H-benzo[h]quinazolin-4-one CAS Name: 5,5-diethyl-2-(3-hydroxypropylamino)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5,5-diethyl-2-(3-hydroxypropylamino)-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5,5-diethyl-2-(3-hydroxypropylamino)-6H-benzo[h]quinazolin-4-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)CC4=CC=CC=C4)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)CC4=CC=CC=C4)CC

InChI

InChI=1S/C26H31N3O2/c1-3-26(4-2)17-20-13-8-9-14-21(20)23-22(26)24(31)29(18-19-11-6-5-7-12-19)25(28-23)27-15-10-16-30/h5-9,11-14,30H,3-4,10,15-18H2,1-2H3,(H,27,28)