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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-4-(7H-purin-8-yl)benzamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-4-(7H-purin-8-yl)benzamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3-methyl-4-(7H-purin-8-yl)benzamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-4-(7H-purin-8-yl)benzamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-3-methyl-4-(7H-purin-8-yl)benzamide Formula: C26H28ClN7O MolecularWeight: 489.99982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=NC5=NC=NC=C5N4

InChI

InChI=1S/C26H28ClN7O/c1-18-14-19(6-7-22(18)24-31-23-16-28-17-30-25(23)32-24)26(35)29-8-3-9-33-10-12-34(13-11-33)21-5-2-4-20(27)15-21/h2,4-7,14-17H,3,8-13H2,1H3,(H,29,35)(H,28,30,31,32)