N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-keto-ethyl]nicotinamide Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H19N3O4/c26-21(16-7-4-10-23-13-16)25-18(11-15-5-2-1-3-6-15)22(27)24-17-8-9-19-20(12-17)29-14-28-19/h1-10,12-13,18H,11,14H2,(H,24,27)(H,25,26)/t18-/m0/s1