2-[2-[1-[3-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-2H-1,2,3,4-tetrazol-3-yl]ethoxy]ethanenitrile

Systemtic Name: 2-[2-[1-[3-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-2H-1,2,3,4-tetrazol-3-yl]ethoxy]ethanenitrile Openeye Name: 2-[2-[1-[3-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile CAS Name: 2-[2-[1-[3-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile IUPAC Name: 2-[2-[1-[3-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile Traditional Name: 2-[2-[1-[3-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile Formula: C31H37N7O2 MolecularWeight: 539.67118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)N3C=NN(N3)CCOCC#N)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(C2=CC(=CC=C2)N3C=NN(N3)CCOCC#N)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

InChI

InChI=1S/C31H37N7O2/c1-24-21-36(25(2)20-35(24)22-26-8-4-3-5-9-26)31(28-11-7-13-30(39)19-28)27-10-6-12-29(18-27)37-23-33-38(34-37)15-17-40-16-14-32/h3-13,18-19,23-25,31,34,39H,15-17,20-22H2,1-2H3