2-[4-[bis(2-methylpropyl)amino]-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: 2-[4-[bis(2-methylpropyl)amino]-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: 2-[4-(diisobutylamino)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: 2-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: 2-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: 2-[4-(diisobutylamino)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-14(2)12-25(13-15(3)4)19-10-9-16(11-20(19)26(28)29)21-23-18-8-6-5-7-17(18)22(27)24-21/h5-11,14-15,21,23H,12-13H2,1-4H3,(H,24,27)