1-(1-adamantyl)-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]propyl]urea Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O3/c1-33-23-8-6-22(7-9-23)24-5-3-2-4-12-30(24)25(31)10-11-28-26(32)29-27-16-19-13-20(17-27)15-21(14-19)18-27/h6-9,19-21,24H,2-5,10-18H2,1H3,(H2,28,29,32)