1-(1-adamantyl)-3-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[4-(4-cyanobenzyl)piperazino]-3-keto-propyl]urea Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N5O2/c27-17-19-1-3-20(4-2-19)18-30-7-9-31(10-8-30)24(32)5-6-28-25(33)29-26-14-21-11-22(15-26)13-23(12-21)16-26/h1-4,21-23H,5-16,18H2,(H2,28,29,33)