[4-(4-chloranylphenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-chloranylphenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone Openeye Name: [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone CAS Name: [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropyl-1-piperazinyl)methanone IUPAC Name: [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone Traditional Name: [4-(4-chlorophenoxy)-3-(methylaminomethyl)phenyl]-(4-cyclopropylpiperazino)methanone Formula: C22H26ClN3O2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3CC3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3CC3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3