N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(2-methyl-1-oxopropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-isobutyryl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O4/c1-15(2)22(28)26-9-3-8-25(10-11-26)20-7-5-17(13-23-20)24-21(27)16-4-6-18-19(12-16)30-14-29-18/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,24,27)