N-[(5S)-5-azanyl-6-[2-(2-chloranylphenoxy)ethylamino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-[2-(2-chloranylphenoxy)ethylamino]-6-oxidanylidene-hexyl]pyridine-3-carboxamide Openeye Name: N-[(5S)-5-amino-6-[2-(2-chlorophenoxy)ethylamino]-6-oxo-hexyl]pyridine-3-carboxamide CAS Name: N-[(5S)-5-amino-6-[2-(2-chlorophenoxy)ethylamino]-6-oxohexyl]-3-pyridinecarboxamide IUPAC Name: N-[(5S)-5-amino-6-[2-(2-chlorophenoxy)ethylamino]-6-oxohexyl]pyridine-3-carboxamide Traditional Name: N-[(5S)-5-amino-6-[2-(2-chlorophenoxy)ethylamino]-6-keto-hexyl]nicotinamide Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O3/c21-16-7-1-2-9-18(16)28-13-12-25-20(27)17(22)8-3-4-11-24-19(26)15-6-5-10-23-14-15/h1-2,5-7,9-10,14,17H,3-4,8,11-13,22H2,(H,24,26)(H,25,27)/t17-/m0/s1