4-[[5-[[4-(5-prop-1-ynylnaphthalen-1-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(5-prop-1-ynylnaphthalen-1-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(5-prop-1-ynylnaphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[oxo-(5-prop-1-ynyl-1-naphthalenyl)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(5-prop-1-ynylnaphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(5-prop-1-ynyl-1-naphthoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C30H27N5O MolecularWeight: 473.56828

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C2C=CC=C(C2=CC=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC#CC1=C2C=CC=C(C2=CC=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H27N5O/c1-2-5-25-6-3-8-28-27(25)7-4-9-29(28)30(36)34-16-14-33(15-17-34)21-26-19-32-22-35(26)20-24-12-10-23(18-31)11-13-24/h3-4,6-13,19,22H,14-17,20-21H2,1H3