5-(4-methylpiperazin-1-yl)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(4-methylpiperazin-1-yl)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-methylpiperazin-1-yl)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(4-methyl-1-piperazinyl)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-methylpiperazin-1-yl)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-methylpiperazino)-8-nitro-1-propyl-3H-1,4-benzodiazepin-2-one Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN=C(C2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCCN1C(=O)CN=C(C2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H23N5O3/c1-3-6-21-15-11-13(22(24)25)4-5-14(15)17(18-12-16(21)23)20-9-7-19(2)8-10-20/h4-5,11H,3,6-10,12H2,1-2H3