N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Formula: C26H28ClN7O2 MolecularWeight: 505.99922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

InChI

InChI=1S/C26H28ClN7O2/c1-36-23-14-18(6-7-21(23)24-31-22-16-28-17-30-25(22)32-24)26(35)29-8-3-9-33-10-12-34(13-11-33)20-5-2-4-19(27)15-20/h2,4-7,14-17H,3,8-13H2,1H3,(H,29,35)(H,28,30,31,32)