1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-1,2,3,4-tetrazol-5-yl)amino]phenyl]urea

Systemtic Name: 1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-1,2,3,4-tetrazol-5-yl)amino]phenyl]urea Openeye Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea CAS Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea IUPAC Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea Formula: C25H29N9O2 MolecularWeight: 487.55686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C4=NNN=N4)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C4=NNN=N4)C5CCCCC5

InChI

InChI=1S/C25H29N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H2,26,28,36)(H,29,30,31,32)