[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-methyl-1-phenyl-5-benzimidazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone Traditional Name: (2-methyl-1-phenyl-benzimidazol-5-yl)-(4-piperonylpiperazino)methanone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N4O3/c1-19-28-23-16-21(8-9-24(23)31(19)22-5-3-2-4-6-22)27(32)30-13-11-29(12-14-30)17-20-7-10-25-26(15-20)34-18-33-25/h2-10,15-16H,11-14,17-18H2,1H3