1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methylurea Traditional Name: [4-(4-piperonylpiperazine-1-carbonyl)benzyl]urea Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CNC(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CNC(=O)N

InChI

InChI=1S/C21H24N4O4/c22-21(27)23-12-15-1-4-17(5-2-15)20(26)25-9-7-24(8-10-25)13-16-3-6-18-19(11-16)29-14-28-18/h1-6,11H,7-10,12-14H2,(H3,22,23,27)