1-[(2S)-butan-2-yl]-3-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)urea

Systemtic Name: 1-[(2S)-butan-2-yl]-3-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)urea Openeye Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-3-[(1S)-1-methylpropyl]urea CAS Name: 1-[(2S)-butan-2-yl]-3-(2-cyano-1-spiro[4H-naphthalene-3,1'-cyclohexane]yl)urea IUPAC Name: 1-[(2S)-butan-2-yl]-3-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)urea Traditional Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-3-[(1S)-1-methylpropyl]urea Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=C(C2(CCCCC2)CC3=CC=CC=C31)C#N

Isomeric SMILES

CC[C@H](C)NC(=O)NC1=C(C2(CCCCC2)CC3=CC=CC=C31)C#N

InChI

InChI=1S/C21H27N3O/c1-3-15(2)23-20(25)24-19-17-10-6-5-9-16(17)13-21(18(19)14-22)11-7-4-8-12-21/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H2,23,24,25)/t15-/m0/s1