N-[(5S)-5-azanyl-6-oxidanylidene-6-(4-phenylbutylamino)hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-oxidanylidene-6-(4-phenylbutylamino)hexyl]pyridine-3-carboxamide Openeye Name: N-[(5S)-5-amino-6-oxo-6-(4-phenylbutylamino)hexyl]pyridine-3-carboxamide CAS Name: N-[(5S)-5-amino-6-oxo-6-(4-phenylbutylamino)hexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-oxo-6-(4-phenylbutylamino)hexyl]pyridine-3-carboxamide Traditional Name: N-[(5S)-5-amino-6-keto-6-(4-phenylbutylamino)hexyl]nicotinamide Formula: C22H30N4O2 MolecularWeight: 382.4992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c23-20(13-5-7-15-25-21(27)19-12-8-14-24-17-19)22(28)26-16-6-4-11-18-9-2-1-3-10-18/h1-3,8-10,12,14,17,20H,4-7,11,13,15-16,23H2,(H,25,27)(H,26,28)/t20-/m0/s1