N-[(5S)-5-azanyl-6-oxidanylidene-6-(3-phenylpropylamino)hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-oxidanylidene-6-(3-phenylpropylamino)hexyl]pyridine-3-carboxamide Openeye Name: N-[(5S)-5-amino-6-oxo-6-(3-phenylpropylamino)hexyl]pyridine-3-carboxamide CAS Name: N-[(5S)-5-amino-6-oxo-6-(3-phenylpropylamino)hexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-oxo-6-(3-phenylpropylamino)hexyl]pyridine-3-carboxamide Traditional Name: N-[(5S)-5-amino-6-keto-6-(3-phenylpropylamino)hexyl]nicotinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CCCCNC(=O)C2=CN=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)[C@H](CCCCNC(=O)C2=CN=CC=C2)N

InChI

InChI=1S/C21H28N4O2/c22-19(21(27)25-15-6-10-17-8-2-1-3-9-17)12-4-5-14-24-20(26)18-11-7-13-23-16-18/h1-3,7-9,11,13,16,19H,4-6,10,12,14-15,22H2,(H,24,26)(H,25,27)/t19-/m0/s1