N-[(2-cyanophenyl)methyl]-2-[3-(2-phenylethanoylamino)propanoyl]-1,2-diazinane-3-carboxamide

Systemtic Name: N-[(2-cyanophenyl)methyl]-2-[3-(2-phenylethanoylamino)propanoyl]-1,2-diazinane-3-carboxamide Openeye Name: N-[(2-cyanophenyl)methyl]-2-[3-[(2-phenylacetyl)amino]propanoyl]hexahydropyridazine-3-carboxamide CAS Name: N-[(2-cyanophenyl)methyl]-2-[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]-3-diazinanecarboxamide IUPAC Name: N-[(2-cyanophenyl)methyl]-2-[3-[(2-phenylacetyl)amino]propanoyl]diazinane-3-carboxamide Traditional Name: N-(2-cyanobenzyl)-2-[3-[(2-phenylacetyl)amino]propanoyl]hexahydropyridazine-3-carboxamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(NC1)C(=O)CCNC(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(N(NC1)C(=O)CCNC(=O)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C#N

InChI

InChI=1S/C24H27N5O3/c25-16-19-9-4-5-10-20(19)17-27-24(32)21-11-6-13-28-29(21)23(31)12-14-26-22(30)15-18-7-2-1-3-8-18/h1-5,7-10,21,28H,6,11-15,17H2,(H,26,30)(H,27,32)