2-[1-(8-butyl-6-oxidanylidene-7,9-diazaspiro[4.4]non-8-en-7-yl)-2,3-dihydro-1H-inden-5-yl]benzenecarbonitrile

Systemtic Name: 2-[1-(8-butyl-6-oxidanylidene-7,9-diazaspiro[4.4]non-8-en-7-yl)-2,3-dihydro-1H-inden-5-yl]benzenecarbonitrile Openeye Name: 2-[1-(8-butyl-6-oxo-7,9-diazaspiro[4.4]non-8-en-7-yl)indan-5-yl]benzonitrile CAS Name: 2-[1-(8-butyl-6-oxo-7,9-diazaspiro[4.4]non-8-en-7-yl)-2,3-dihydro-1H-inden-5-yl]benzonitrile IUPAC Name: 2-[1-(8-butyl-6-oxo-7,9-diazaspiro[4.4]non-8-en-7-yl)-2,3-dihydro-1H-inden-5-yl]benzonitrile Traditional Name: 2-[1-(8-butyl-6-keto-7,9-diazaspiro[4.4]non-8-en-7-yl)indan-5-yl]benzonitrile Formula: C27H29N3O MolecularWeight: 411.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2(CCCC2)C(=O)N1C3CCC4=C3C=CC(=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CCCCC1=NC2(CCCC2)C(=O)N1C3CCC4=C3C=CC(=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H29N3O/c1-2-3-10-25-29-27(15-6-7-16-27)26(31)30(25)24-14-12-20-17-19(11-13-23(20)24)22-9-5-4-8-21(22)18-28/h4-5,8-9,11,13,17,24H,2-3,6-7,10,12,14-16H2,1H3