2-azanyl-N-[1-[5-(dimethylamino)-5-oxidanylidene-4,4-diphenyl-pentan-2-yl]-3-oxidanyl-piperidin-4-yl]-4-fluoranyl-benzamide hydrate

Systemtic Name: 2-azanyl-N-[1-[5-(dimethylamino)-5-oxidanylidene-4,4-diphenyl-pentan-2-yl]-3-oxidanyl-piperidin-4-yl]-4-fluoranyl-benzamide hydrate Openeye Name: 2-amino-N-[1-[4-(dimethylamino)-1-methyl-4-oxo-3,3-diphenyl-butyl]-3-hydroxy-4-piperidyl]-4-fluoro-benzamide hydrate CAS Name: 2-amino-N-[1-[5-(dimethylamino)-5-oxo-4,4-diphenylpentan-2-yl]-3-hydroxy-4-piperidinyl]-4-fluorobenzamide hydrate IUPAC Name: 2-amino-N-[1-[5-(dimethylamino)-5-oxo-4,4-diphenylpentan-2-yl]-3-hydroxypiperidin-4-yl]-4-fluorobenzamide hydrate Traditional Name: 2-amino-N-[1-[4-(dimethylamino)-4-keto-1-methyl-3,3-diphenyl-butyl]-3-hydroxy-4-piperidyl]-4-fluoro-benzamide hydrate Formula: C31H39FN4O4 MolecularWeight: 550.664163

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)C)N3CCC(C(C3)O)NC(=O)C4=C(C=C(C=C4)F)N.O

Isomeric SMILES

CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)C)N3CCC(C(C3)O)NC(=O)C4=C(C=C(C=C4)F)N.O

InChI

InChI=1S/C31H37FN4O3.H2O/c1-21(36-17-16-27(28(37)20-36)34-29(38)25-15-14-24(32)18-26(25)33)19-31(30(39)35(2)3,22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-15,18,21,27-28,37H,16-17,19-20,33H2,1-3H3,(H,34,38);1H2