N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]morpholine-4-carboxamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]morpholine-4-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]morpholine-4-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-morpholinecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]morpholine-4-carboxamide Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26ClN5O3/c24-21-7-6-20(27-23(31)28-10-12-32-13-11-28)14-19(21)16-29(9-1-8-25)22(30)18-4-2-17(15-26)3-5-18/h2-7,14H,1,8-13,16,25H2,(H,27,31)