4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(2,2-dimethyl-3H-benzofuran-7-yl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(2,2-dimethyl-3H-benzofuran-7-yl)-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(2,2-dimethylcoumaran-7-yl)-piperazino-methyl]-N,N-diethyl-benzamide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2OC(C3)(C)C)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC3=C2OC(C3)(C)C)N4CCNCC4

InChI

InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3