N-[(5S)-5-azanyl-6-oxidanylidene-6-[(4-propan-2-ylphenyl)amino]hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-oxidanylidene-6-[(4-propan-2-ylphenyl)amino]hexyl]pyridine-3-carboxamide Openeye Name: N-[(5S)-5-amino-6-(4-isopropylanilino)-6-oxo-hexyl]pyridine-3-carboxamide CAS Name: N-[(5S)-5-amino-6-oxo-6-(4-propan-2-ylanilino)hexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-oxo-6-(4-propan-2-ylanilino)hexyl]pyridine-3-carboxamide Traditional Name: N-[(5S)-5-amino-6-cumidino-6-keto-hexyl]nicotinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-15(2)16-8-10-18(11-9-16)25-21(27)19(22)7-3-4-13-24-20(26)17-6-5-12-23-14-17/h5-6,8-12,14-15,19H,3-4,7,13,22H2,1-2H3,(H,24,26)(H,25,27)/t19-/m0/s1