2-azanyl-N-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl]ethanamide hydrate

Systemtic Name: 2-azanyl-N-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl]ethanamide hydrate Openeye Name: 2-amino-N-[2-(2-benzoyl-4-chloro-N-methyl-anilino)-2-oxo-ethyl]acetamide hydrate CAS Name: 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)-2-oxoethyl]acetamide hydrate IUPAC Name: 2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)-2-oxoethyl]acetamide hydrate Traditional Name: 2-amino-N-[2-(2-benzoyl-4-chloro-N-methyl-anilino)-2-keto-ethyl]acetamide hydrate Formula: C36H38Cl2N6O7 MolecularWeight: 737.62892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)CN.CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)CN.O

Isomeric SMILES

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)CN.CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CNC(=O)CN.O

InChI

InChI=1S/2C18H18ClN3O3.H2O/c2*1-22(17(24)11-21-16(23)10-20)15-8-7-13(19)9-14(15)18(25)12-5-3-2-4-6-12;/h2*2-9H,10-11,20H2,1H3,(H,21,23);1H2