(3S)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(Z)-[4-(1-piperidyl)phenyl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(Z)-[4-(1-piperidinyl)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(Z)-(4-piperidinobenzylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=NNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=N\NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3/c25-21(20-15-26-18-6-2-3-7-19(18)27-20)23-22-14-16-8-10-17(11-9-16)24-12-4-1-5-13-24/h2-3,6-11,14,20H,1,4-5,12-13,15H2,(H,23,25)/b22-14-/t20-/m0/s1