1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[3-(dimethylamino)propyl]-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3/c1-22(2)11-6-12-23-18-10-9-16(24(26)27)13-17(18)20(21-14-19(23)25)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3