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

Systemtic Name: N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-(4-isopentyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-isoamyl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N4O3/c1-17(2)8-11-26-9-3-10-27(13-12-26)22-7-5-19(15-24-22)25-23(28)18-4-6-20-21(14-18)30-16-29-20/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,25,28)