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

Systemtic Name: N-[6-[4-(4-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(4-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)Cl)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)Cl)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23ClN4O4/c26-19-5-2-17(3-6-19)25(32)30-11-1-10-29(12-13-30)23-9-7-20(15-27-23)28-24(31)18-4-8-21-22(14-18)34-16-33-21/h2-9,14-15H,1,10-13,16H2,(H,28,31)