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

Systemtic Name: N-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-(4-benzyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-25(20-7-9-22-23(15-20)32-18-31-22)27-21-8-10-24(26-16-21)29-12-4-11-28(13-14-29)17-19-5-2-1-3-6-19/h1-3,5-10,15-16H,4,11-14,17-18H2,(H,27,30)