2-[2-[1-[3-[(2,5-dimethyl-4-prop-2-enyl-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-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-2H-1,2,3,4-tetrazol-3-yl]ethoxy]ethanenitrile Openeye Name: 2-[2-[1-[3-[(4-allyl-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-prop-2-enyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile IUPAC Name: 2-[2-[1-[3-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile Traditional Name: 2-[2-[1-[3-[(4-allyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-2H-tetrazol-3-yl]ethoxy]acetonitrile Formula: C27H35N7O2 MolecularWeight: 489.6125

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O2/c1-4-12-31-18-22(3)32(19-21(31)2)27(24-8-6-10-26(35)17-24)23-7-5-9-25(16-23)33-20-29-34(30-33)13-15-36-14-11-28/h4-10,16-17,20-22,27,30,35H,1,12-15,18-19H2,2-3H3