2-azanyl-N-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]ethanoyl]propanamide hydrate

Systemtic Name: 2-azanyl-N-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]ethanoyl]propanamide hydrate Openeye Name: 2-amino-N-[2-(2-benzoyl-4-chloro-anilino)acetyl]propanamide hydrate CAS Name: 2-amino-N-[2-(2-benzoyl-4-chloroanilino)-1-oxoethyl]propanamide hydrate IUPAC Name: 2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide hydrate Traditional Name: 2-amino-N-[2-(2-benzoyl-4-chloro-anilino)acetyl]propionamide hydrate Formula: C36H38Cl2N6O7 MolecularWeight: 737.62892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.CC(C(=O)NC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.O

Isomeric SMILES

CC(C(=O)NC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.CC(C(=O)NC(=O)CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.O

InChI

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