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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethoxy-4-(7H-purin-8-yl)benzamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethoxy-4-(7H-purin-8-yl)benzamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3-ethoxy-4-(7H-purin-8-yl)benzamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-ethoxy-4-(7H-purin-8-yl)benzamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-3-ethoxy-4-(7H-purin-8-yl)benzamide Formula: C27H30ClN7O2 MolecularWeight: 520.0258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

InChI

InChI=1S/C27H30ClN7O2/c1-2-37-24-15-19(7-8-22(24)25-32-23-17-29-18-31-26(23)33-25)27(36)30-9-4-10-34-11-13-35(14-12-34)21-6-3-5-20(28)16-21/h3,5-8,15-18H,2,4,9-14H2,1H3,(H,30,36)(H,29,31,32,33)