1-[3-(4-methylphenyl)-1-adamantyl]-3-[[(E)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[[(E)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]urea Openeye Name: 1-[[(E)-(2-oxo-1-naphthylidene)methyl]amino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[[(E)-(2-oxo-1-naphthalenylidene)methyl]amino]urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]urea Traditional Name: 1-[[(E)-(2-keto-1-naphthylidene)methyl]amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NNC=C5C(=O)C=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN/C=C\5/C(=O)C=CC6=CC=CC=C65

InChI

InChI=1S/C29H31N3O2/c1-19-6-9-23(10-7-19)28-13-20-12-21(14-28)16-29(15-20,18-28)31-27(34)32-30-17-25-24-5-3-2-4-22(24)8-11-26(25)33/h2-11,17,20-21,30H,12-16,18H2,1H3,(H2,31,32,34)/b25-17+