N-[3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]amino]propyl]adamantane-1-carboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

InChI

InChI=1S/C27H39N3O3/c1-33-23-6-4-5-22(14-23)24(30-9-2-3-10-30)18-29-25(31)7-8-28-26(32)27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,14,19-21,24H,2-3,7-13,15-18H2,1H3,(H,28,32)(H,29,31)