1-(5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methylpiperazin-1-ium-1-yl)phenyl]urea

Systemtic Name: 1-(5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methylpiperazin-1-ium-1-yl)phenyl]urea Openeye Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methylpiperazin-1-ium-1-yl)phenyl]urea CAS Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methyl-1-piperazin-1-iumyl)phenyl]urea IUPAC Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methylpiperazin-1-ium-1-yl)phenyl]urea Traditional Name: 1-(5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-1-[3-(1-methylpiperazin-1-ium-1-yl)phenyl]urea Formula: C29H39N6O2+ MolecularWeight: 503.65896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC(=CC=C3)[N+]4(CCNCC4)C)C(=O)N)C5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC(=CC=C3)[N+]4(CCNCC4)C)C(=O)N)C5CCCCCC5

InChI

InChI=1S/C29H38N6O2/c1-33-25-15-8-7-14-24(25)26(21-10-5-3-4-6-11-21)32-27(28(33)36)34(29(30)37)22-12-9-13-23(20-22)35(2)18-16-31-17-19-35/h7-9,12-15,20-21,27,31H,3-6,10-11,16-19H2,1-2H3,(H-,30,37)/p+1