2-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 2-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 2-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 2-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 2-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 2-(4-nitrobenzyl)oxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C20H19N3O4/c24-20-17-12-16(27-13-14-5-7-15(8-6-14)23(25)26)9-10-18(17)21-19-4-2-1-3-11-22(19)20/h5-10,12H,1-4,11,13H2