(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-(piperonylamino)propionamide Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17N3O3/c1-12(18(22)21-15-4-2-3-13(7-15)9-19)20-10-14-5-6-16-17(8-14)24-11-23-16/h2-8,12,20H,10-11H2,1H3,(H,21,22)/t12-/m0/s1