N-(4-methoxyphenyl)-2-[5-methyl-4-oxidanidyl-2-oxidanylidene-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-4-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[5-methyl-4-oxidanidyl-2-oxidanylidene-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-4-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-(4-methoxyphenyl)-2-[5-methyl-4-oxido-2-oxo-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-4-ium-1-yl]acetamide CAS Name: 2-[3-[[anilino(oxo)methyl]amino]-5-methyl-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide IUPAC Name: N-(4-methoxyphenyl)-2-[5-methyl-4-oxido-2-oxo-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-4-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[2-keto-5-methyl-4-oxido-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-4-ium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C(=O)N(C2=CC=CC=C12)CC(=O)N(C3=CC=C(C=C3)OC)C(C)C)NC(=O)NC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=[N+](C(C(=O)N(C2=CC=CC=C12)CC(=O)N(C3=CC=C(C=C3)OC)C(C)C)NC(=O)NC4=CC=CC=C4)[O-]

InChI

InChI=1S/C29H31N5O5/c1-19(2)33(22-14-16-23(39-4)17-15-22)26(35)18-32-25-13-9-8-12-24(25)20(3)34(38)27(28(32)36)31-29(37)30-21-10-6-5-7-11-21/h5-17,19,27H,18H2,1-4H3,(H2,30,31,37)