N-[4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]ethanamide hydrate

Systemtic Name: N-[4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]ethanamide hydrate Openeye Name: N-[4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]acetamide hydrate CAS Name: N-[4-[(4-cyano-2-ethyl-3-methyl-1-pyrido[1,2-a]benzimidazolyl)amino]phenyl]acetamide hydrate IUPAC Name: N-[4-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]acetamide hydrate Traditional Name: N-[4-[(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]acetamide hydrate Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)NC(=O)C.O

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)NC(=O)C.O

InChI

InChI=1S/C23H21N5O.H2O/c1-4-18-14(2)19(13-24)23-27-20-7-5-6-8-21(20)28(23)22(18)26-17-11-9-16(10-12-17)25-15(3)29;/h5-12,26H,4H2,1-3H3,(H,25,29);1H2