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

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]urea Formula: C24H33ClN4O2 MolecularWeight: 444.99742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33ClN4O2/c25-20-2-1-3-21(13-20)28-6-8-29(9-7-28)22(30)4-5-26-23(31)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H2,26,27,31)