N-[4-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrate

Systemtic Name: N-[4-(2-azanyl-1-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrate Openeye Name: N-[4-(2-amino-1-morpholino-2-oxo-1-phenyl-ethyl)phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide hydrate CAS Name: N-[4-[2-amino-1-(4-morpholinyl)-2-oxo-1-phenylethyl]phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide hydrate IUPAC Name: N-[4-(2-amino-1-morpholin-4-yl-2-oxo-1-phenylethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrate Traditional Name: N-[4-(2-amino-2-keto-1-morpholino-1-phenyl-ethyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide hydrate Formula: C27H29N5O5 MolecularWeight: 503.54966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C2=CC=CC=C2)(C3=CC=C(C=C3)NC(=O)C4CC(=NO4)C5=CN=CC=C5)C(=O)N.O

Isomeric SMILES

C1COCCN1C(C2=CC=CC=C2)(C3=CC=C(C=C3)NC(=O)C4CC(=NO4)C5=CN=CC=C5)C(=O)N.O

InChI

InChI=1S/C27H27N5O4.H2O/c28-26(34)27(20-6-2-1-3-7-20,32-13-15-35-16-14-32)21-8-10-22(11-9-21)30-25(33)24-17-23(31-36-24)19-5-4-12-29-18-19;/h1-12,18,24H,13-17H2,(H2,28,34)(H,30,33);1H2