N-(1H-1,2-diazepin-4-yl)-N-(4-hydroxyphenyl)ethanamide dihydrate

Systemtic Name: N-(1H-1,2-diazepin-4-yl)-N-(4-hydroxyphenyl)ethanamide dihydrate Openeye Name: N-(1H-diazepin-4-yl)-N-(4-hydroxyphenyl)acetamide dihydrate CAS Name: N-(1H-diazepin-4-yl)-N-(4-hydroxyphenyl)acetamide dihydrate IUPAC Name: N-(1H-diazepin-4-yl)-N-(4-hydroxyphenyl)acetamide dihydrate Traditional Name: N-(1H-diazepin-4-yl)-N-(4-hydroxyphenyl)acetamide dihydrate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)O)C2=CC=CNN=C2.O.O

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)O)C2=CC=CNN=C2.O.O

InChI

InChI=1S/C13H13N3O2.2H2O/c1-10(17)16(11-4-6-13(18)7-5-11)12-3-2-8-14-15-9-12;;/h2-9,14,18H,1H3;2*1H2