2-morpholin-4-yl-4-oxidanylidene-4-phenyl-N-(phenylmethyl)butanamide hydrate

Systemtic Name: 2-morpholin-4-yl-4-oxidanylidene-4-phenyl-N-(phenylmethyl)butanamide hydrate Openeye Name: N-benzyl-2-morpholino-4-oxo-4-phenyl-butanamide hydrate CAS Name: 2-(4-morpholinyl)-4-oxo-4-phenyl-N-(phenylmethyl)butanamide hydrate IUPAC Name: N-benzyl-2-morpholin-4-yl-4-oxo-4-phenylbutanamide hydrate Traditional Name: N-benzyl-4-keto-2-morpholino-4-phenyl-butyramide hydrate Formula: C42H50N4O7 MolecularWeight: 722.869

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3.C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3.O

Isomeric SMILES

C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3.C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3.O

InChI

InChI=1S/2C21H24N2O3.H2O/c2*24-20(18-9-5-2-6-10-18)15-19(23-11-13-26-14-12-23)21(25)22-16-17-7-3-1-4-8-17;/h2*1-10,19H,11-16H2,(H,22,25);1H2