N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]pyridine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[(3S)-2-oxo-3-azepanyl]-2-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]pyridine-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-6-methyl-N-piperonyl-picolinamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCCNC4=O

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N(CC2=CC3=C(C=C2)OCO3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C21H23N3O4/c1-14-5-4-6-16(23-14)21(26)24(17-7-2-3-10-22-20(17)25)12-15-8-9-18-19(11-15)28-13-27-18/h4-6,8-9,11,17H,2-3,7,10,12-13H2,1H3,(H,22,25)/t17-/m0/s1