N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromophenyl)carbamoylamino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromophenyl)carbamoylamino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromophenyl)carbamoylamino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[(4-bromoanilino)-oxomethyl]amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromophenyl)carbamoylamino]propanamide Traditional Name: 3-[(4-bromophenyl)carbamoylamino]-N-piperonyl-propionamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O4/c19-13-2-4-14(5-3-13)22-18(24)20-8-7-17(23)21-10-12-1-6-15-16(9-12)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,21,23)(H2,20,22,24)