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

Systemtic Name: 2-[(4-nitrophenyl)methylamino]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 2-[(4-nitrophenyl)methylamino]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 2-[(4-nitrophenyl)methylamino]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 2-[(4-nitrophenyl)methylamino]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 2-[(4-nitrobenzyl)amino]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C20H20N4O3/c25-20-17-12-15(21-13-14-5-8-16(9-6-14)24(26)27)7-10-18(17)22-19-4-2-1-3-11-23(19)20/h5-10,12,21H,1-4,11,13H2