1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea

Systemtic Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-[(E)-[4-(dimethylamino)benzylidene]amino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N/N=C/C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C27H34N4O/c1-19-4-8-23(9-5-19)26-13-21-12-22(14-26)16-27(15-21,18-26)29-25(32)30-28-17-20-6-10-24(11-7-20)31(2)3/h4-11,17,21-22H,12-16,18H2,1-3H3,(H2,29,30,32)/b28-17+